Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.38 |
| ▸ | TYK2 known ✓ | P29597 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL283130 | 0.98 | HSD17B10 (0.41) | HSD17B10HTTMMP2ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL4454152 | 0.96 | HSD17B10 (0.41) | HSD17B10HTTMMP2ALDH1A1HPGD | |
| SCHEMBL504216 | 0.84 | CA12 (0.46) | ALDH1A1HPGDTAS2R14FABP4PLK1 | |
| SCHEMBL4095197 | 0.83 | PTGS1 (0.39) | HSD17B10HTTALDH1A1HPGDKDM4E | |
| SCHEMBL23908702 | 0.80 | ALDH1A1 (0.51) | ALDH1A1HPGDTAS2R14FABP4PLK1 | |
| Hydrochloric Acid SCHEMBL9874294 | 0.80 | THRB (0.39) | HSD17B10HTTALDH1A1TAS2R14PTGS1 | |
| SCHEMBL10489765 | 0.79 | GLRA3 (0.46) | HSD17B10MMP2ALDH1A1KDM4ECA12 | |
| SCHEMBL8570598 | 0.79 | CFTR (0.49) | HSD17B10ALDH1A1HPGDKDM4ECFTR | |
| SCHEMBL11692958 | 0.77 | CFTR (0.46) | CFTRPTGS1PLK1TYK2LMNA | |
| SCHEMBL1000014 | 0.77 | MMP2 (0.54) | HSD17B10MMP2ALDH1A1HPGDKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3943494-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION (US) | 2022-01-26 | — | — | EP | disclosed |
| US-20210332047-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORP (US) | 2021-10-28 | — | — | US | disclosed |
| EP-3153514-B1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORP (US) | 2021-04-21 | — | — | EP | disclosed |
| US-10906907-B2 | Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof | ICOS CORPORATION (US) | 2021-02-02 | — | — | US | disclosed |
| US-10336756-B2 | (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta | ICOS CORPORATION (US) | 2019-07-02 | — | — | US | disclosed |
| EP-3153514-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION (US) | 2017-04-12 | — | — | EP | disclosed |
| EP-1761540-B1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORP (US) | 2016-09-28 | — | — | EP | disclosed |
| EP-2612862-B1 | Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta | ICOS CORP (US) | 2016-09-14 | — | — | EP | disclosed |
| US-20160075705-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION | 2016-03-17 | — | — | US | disclosed |
| US-9149477-B2 | 5-fluoro-3-phenyl-2-[1-(9h-purin-6-ylamino)propyl]-3h-quinazolin-4-one as an inhibitor of human phosphatidylinositol 3-kinase delta | ICOS CORPORATION (US) | 2015-10-06 | — | — | US | disclosed |
| CN-101031569-B | Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors | ICOS CORP | 2011-06-22 | — | — | CN | disclosed |
| US-7932260-B2 | Quinazolinones as inhibitors of human phosphatidylinositol 3-kinase delta | ICOS CORPORATION (US) | 2011-04-26 | — | — | US | disclosed |
| US-20100256168-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION | 2010-10-07 | — | — | US | disclosed |
| US-20100256167-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION | 2010-10-07 | — | — | US | disclosed |
| US-20090306375-A1 | Process for production of 4(3H)-quinazolinone derivative | MSD K.K. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20080275067-A1 | Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta | ICOS CORPORATION (US) | 2008-11-06 | — | — | US | disclosed |
| EP-1900733-A1 | PROCESS FOR PRODUCTION OF 4(3H)-QUINAZOLINONE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-03-19 | — | — | EP | disclosed |
| CN-101031569-A | Quinazolinones as human phosphatidylinositol 3-kinase delta inhibitors | ICOS CORP (US) | 2007-09-05 | — | — | CN | disclosed |
| EP-1761540-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION (US) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005113556-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | ICOS CORPORATION (US) | 2005-12-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100256167-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | PIK3CD, PIK3CA, PI4KA | PTGS1 969/4885TYK2 313/4885HSD17B10 1773/4885 |
| US-20100256168-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | PIK3CD, PIK3CA, PI4KA | PTGS1 969/4885TYK2 313/4885HSD17B10 1773/4885 |
| US-10336756-B2 | (S)-2-(1-aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one precursor of a quinazolinone as inhibitor of human phosphatidylinositol 3-kinase delta | PIK3CD, PIK3CA, PI4KA | PTGS1 762/4885TYK2 224/4885HSD17B10 3452/4885 |
| US-20080275067-A1 | Quinazolinones as Inhibitors of Human Phosphatidylinositol 3-Kinase Delta | PIK3CD, PIK3CA, PI4KA | PTGS1 969/4885TYK2 313/4885HSD17B10 1773/4885 |
| US-20210332047-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | PIK3CD, PIK3CA, PI4KA | PTGS1 969/4885TYK2 313/4885HSD17B10 1773/4885 |
| US-10906907-B2 | Tert-butyl (s)-(1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate precursor of a quinazolinone inhibitor of human phosphatidylinositol 3-kinase delta and a process for preparing thereof | PIK3CD, PIK3CA, PIK3CB | PTGS1 811/4885TYK2 176/4885HSD17B10 3120/4885 |
| US-20160075705-A1 | QUINAZOLINONES AS INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA | PIK3CD, PIK3CA, PI4KA | PTGS1 969/4885TYK2 313/4885HSD17B10 1773/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.