Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | TRPC6 | Q9Y210 | 3/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL615145 | 0.88 | ATR (0.47) | ATRTRPC6EPHX2MAPK1PIK3CD | |
| SCHEMBL2159969 | 0.84 | ATR (0.52) | ATRMAPK1PIK3CDPIK3R2PIK3CG | |
| SCHEMBL28076399 | 0.82 | EPHX2 (0.39) | TRPC6EPHX2MAPK1MAP3K12KDM4E | |
| SCHEMBL28042358 | 0.81 | MAP3K12 (0.38) | TRPC6MAPK1MAP3K12PIK3CD | |
| SCHEMBL28042359 | 0.79 | MAPKAPK2 (0.39) | ATRTRPC6EPHX2MAPK1MAP3K12 | |
| SCHEMBL614867 | 0.78 | ATR (0.47) | ATRPIK3CDPIK3R2PIK3CGCDK1 | |
| SCHEMBL31584450 | 0.74 | ATR (0.42) | ATRMAPK1KDM4EPIK3CDPIK3R2 | |
| SCHEMBL7452584 | 0.73 | MAPK1 (0.45) | ATRMAPK1 | |
| SCHEMBL7457562 | 0.73 | MAPK1 (0.45) | ATRMAPK1 | |
| SCHEMBL7452589 | 0.73 | MAPK1 (0.45) | ATRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | 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 (2 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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | ATR 1/4885TRPC6 3578/4885EPHX2 4243/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | ATR 1/4885TRPC6 3578/4885EPHX2 4243/4885 |
“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.