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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 18/20 | 0.62 |
| ▸ | GSK3A known ✓ | P49840 | 13/20 | 0.62 |
| ▸ | CCNB2 | O95067 | 20/20 | 0.62 |
| ▸ | CDK1 | P06493 | 20/20 | 0.62 |
| ▸ | CCNB1 | P14635 | 20/20 | 0.62 |
| ▸ | CCNB3 | Q8WWL7 | 20/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 13/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL1777718 | 0.98 | CCNB2 (0.64) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL1780088 | 0.82 | CCNB2 (0.62) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL29913067 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL1780925 | 0.77 | CCNB2 (0.70) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL489971 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL491029 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL491112 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL491100 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL2760549 | 0.77 | CCNB2 (0.69) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL1779349 | 0.77 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6770643-B2 | Azaindoles | AVENTIS PHARMA LIMITED (GB) | 2004-08-03 | — | — | US | claimed |
| US-7943616-B2 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2233486-A1 | Azaindoles | Aventis Pharma Limited (GB) | 2010-09-29 | — | — | EP | disclosed |
| EP-1263759-B1 | AZAINDOLES | AVENTIS PHARMA LTD (GB) | 2010-09-08 | — | — | EP | disclosed |
| CN-100509811-C | Azaindoles | AVENTIS PHARMA LTD (GB) | 2009-07-08 | — | — | CN | disclosed |
| US-7227020-B2 | Azaindoles | AVENTIS PHARMA LIMITED (GB) | 2007-06-05 | — | — | US | disclosed |
| US-20050267304-A1 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-01 | — | — | US | disclosed |
| CN-1665809-A | Azaindoles | AVENTIS PHARMA LTD (GB) | 2005-09-07 | — | — | CN | disclosed |
| US-6897207-B2 | Azaindoles | AVENTIS PHARMACEUTICALS INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040198737-A1 | Azaindoles | AVENTIS PHARMA LIMITED (GB) | 2004-10-07 | — | — | US | disclosed |
| US-6770643-B2 | Azaindoles | AVENTIS PHARMA LIMITED (GB) | 2004-08-03 | — | — | US | disclosed |
| US-20040053931-A1 | Azaindoles | AVENTIS PHARMACEUTICALS INC. | 2004-03-18 | — | — | US | disclosed |
| EP-1397360-A1 | AZAINDOLES | Aventis Pharma Limited (GB) | 2004-03-17 | — | — | EP | disclosed |
| US-20040009983-A1 | Azaindoles | AVENTIS PHARMA LIMITED (GB) | 2004-01-15 | — | — | US | disclosed |
| WO-2003000688-A1 | AZAINDOLES | AVENTIS PHARMA LIMITED (GB) | 2003-01-03 | — | — | WO | disclosed |
| EP-1263759-A2 | AZAINDOLES | Aventis Pharma Limited (GB) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001047922-A2 | AZAINDOLES | AVENTIS PHARMA LIMITED (GB) | 2001-07-05 | — | — | 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 (4 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-20040198737-A1 | Azaindoles | CCNY, CCNO, CNKSR1 | GSK3B 805/4885GSK3A 681/4885CCNB2 194/4885 |
| US-20040053931-A1 | Azaindoles | CDKN1A, CDK7, CDK2 | GSK3B 409/4885GSK3A 456/4885CCNB2 381/4885 |
| US-20040009983-A1 | Azaindoles | CCNY, CCNO, CKS2 | GSK3B 1166/4885GSK3A 1039/4885CCNB2 244/4885 |
| US-20050267304-A1 | Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders | MAP3K20, MAP3K12, MAP3K19 | GSK3B 187/4885GSK3A 176/4885CCNB2 1015/4885 |
“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.