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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 16/20 | 0.60 |
| ▸ | GRIA2 known ✓ | P42262 | 11/20 | 0.60 |
| ▸ | PIK3CD known ✓ | O00329 | 3/20 | 0.35 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 16/20 | 0.60 |
| ▸ | PIK3C2B | O00750 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16645924 | 0.99 | GRIN1 (0.61) | GRIN1GRIN2AGRIA2PIK3CDPIK3C2B | |
| SCHEMBL16636810 | 0.85 | GRIN1 (0.61) | GRIN1GRIN2AGRIA2PIK3C2BPKM | |
| SCHEMBL16645617 | 0.85 | GRIN1 (0.60) | GRIN1GRIN2AGRIA2PKM | |
| SCHEMBL16645792 | 0.81 | GRIN1 (0.66) | GRIN1GRIN2AGRIA2 | |
| SCHEMBL16637873 | 0.81 | GRIN1 (0.63) | GRIN1GRIN2AGRIA2PKM | |
| SCHEMBL16645796 | 0.79 | GRIN1 (0.69) | GRIN1GRIN2AGRIA2 | |
| SCHEMBL17958308 | 0.79 | GRIN1 (0.61) | GRIN1GRIN2AGRIA2PKM | |
| SCHEMBL20403474 | 0.79 | GRIN1 (0.61) | GRIN1GRIN2AGRIA2PKM | |
| SCHEMBL16637291 | 0.78 | GRIN1 (0.70) | GRIN1GRIN2AGRIA2 | |
| SCHEMBL16636474 | 0.78 | GRIN1 (0.67) | GRIN1GRIN2AGRIA2PKM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10647731-B2 | Thiazolopyrimidinones and methods of use thereof | GENENTECH, INC. (US) | 2020-05-12 | — | — | US | disclosed |
| EP-3415519-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2018-12-19 | — | — | EP | disclosed |
| US-20180244694-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-08-30 | — | — | US | disclosed |
| EP-3055315-B1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | HOFFMANN LA ROCHE (CH) | 2018-07-25 | — | — | EP | disclosed |
| US-9988400-B2 | Thiazolopyrimidinones and methods of use thereof | GENENTECH, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| EP-3055315-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| US-20160222033-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2016-08-04 | — | — | US | disclosed |
| WO-2015052226-A1 | THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | 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 (3 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-10647731-B2 | Thiazolopyrimidinones and methods of use thereof | TPMT, THPO, CYP11B2 | GRIN2A 2506/4885GRIA2 2761/4885PIK3CD 3636/4885 |
| US-20180244694-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | TPMT, THPO, CYP11B2 | GRIN2A 2506/4885GRIA2 2761/4885PIK3CD 3636/4885 |
| US-20160222033-A1 | THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF | TPMT, THPO, CYP11B2 | GRIN2A 2506/4885GRIA2 2761/4885PIK3CD 3636/4885 |
“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.