Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | GRM5 | P41594 | 8/20 | 0.56 |
| ▸ | ATR | Q13535 | 6/20 | 0.50 |
| ▸ | PRKCA | P17252 | 2/20 | 0.45 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL617820 | 0.91 | GRM5 (0.59) | KDM4EALDH1A1HPGDHSD17B10GRM5 | |
| SCHEMBL616530 | 0.90 | GRM5 (0.58) | KDM4EALDH1A1HPGDHSD17B10GRM5 | |
| SCHEMBL618481 | 0.88 | GRM5 (0.53) | GRM5ATRPRKCAPRKCQBTK | |
| SCHEMBL615928 | 0.86 | GRM5 (0.64) | ALDH1A1HPGDHSD17B10GRM5ATR | |
| SCHEMBL615929 | 0.84 | GRM5 (0.58) | ALDH1A1GRM5ATR | |
| SCHEMBL617715 | 0.84 | GRM5 (0.61) | KDM4EALDH1A1HPGDHSD17B10GRM5 | |
| SCHEMBL614451 | 0.84 | GRM5 (0.58) | GRM5ATR | |
| SCHEMBL10255558 | 0.83 | GRM5 (0.60) | ALDH1A1GRM5ATRBTK | |
| SCHEMBL616624 | 0.83 | GRM5 (0.60) | KDM4EALDH1A1HSD17B10GRM5ATR | |
| SCHEMBL618071 | 0.83 | GRM5 (0.60) | KDM4EALDH1A1HSD17B10GRM5ATR |
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 | KDM4E 2868/4885ALDH1A1 3958/4885HPGD 3285/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | KDM4E 2868/4885ALDH1A1 3958/4885HPGD 3285/4885 |
“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.