Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
| ▸ | USP2 | O75604 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | DRD1 | P21728 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL19083724 | 0.86 | CACNA2D1 (0.49) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL19083689 | 0.86 | CACNA2D1 (0.49) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL19083782 | 0.86 | CACNA2D1 (0.49) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL23666448 | 0.84 | OPRM1 (0.57) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL9359082 | 0.83 | NPSR1 (0.57) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL71724 | 0.83 | NPSR1 (0.57) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL15797515 | 0.83 | NPSR1 (0.57) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL14742155 | 0.82 | CYP3A4 (0.69) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL9760815 | 0.82 | NPSR1 (0.56) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL2951072 | 0.82 | NPSR1 (0.56) | NPSR1GPR55CYP2D6CYP3A4CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021064077-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-08 | — | — | WO | disclosed |
| US-20140141099-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-05-22 | — | — | US | disclosed |
| US-8637511-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-20120142660-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-07 | — | — | US | disclosed |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | US | disclosed |
| US-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-09 | — | — | US | disclosed |
| US-7767672-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-11-08 | — | — | US | disclosed |
| US-20070179125-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | 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 (6 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-20100310675-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | ABL1, PRKDC, MAP3K5 | NPSR1 4525/4885GPR55 2058/4885CYP2D6 1720/4885 |
| US-20070179125-A1 | Aminopyrimidines useful as kinase inhibitors | ABL1, MAP3K5, MAP3K20 | NPSR1 4532/4885GPR55 2084/4885CYP2D6 1685/4885 |
| US-20070259869-A1 | Aminopyrimidines useful as kinase inhibitors | ABL1, PRKDC, MAP3K5 | NPSR1 4525/4885GPR55 2058/4885CYP2D6 1720/4885 |
| US-20120142660-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | ABL1, PRKDC, MAP3K5 | NPSR1 4525/4885GPR55 2058/4885CYP2D6 1720/4885 |
| US-20140141099-A1 | DRUG DISCOVERY METHODS | AURKB, AURKC, AURKA | NPSR1 4279/4885GPR55 3358/4885CYP2D6 2968/4885 |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | AURKB, AURKC, AURKA | NPSR1 4279/4885GPR55 3358/4885CYP2D6 2968/4885 |
“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.