Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 5/20 | 0.35 |
| ▸ | ATR | Q13535 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL615614 | 0.73 | ATR (0.39) | CYP11B2ATRPIK3CAPIK3CB | |
| SCHEMBL616947 | 0.70 | PRMT5 (0.40) | CYP11B2JAK2JAK3ATRPKM | |
| SCHEMBL13353954 | 0.70 | CYP11B2 (0.32) | CYP11B2PDE10A | |
| SCHEMBL1369224 | 0.68 | CSNK1A1 (0.46) | JAK2ATRPKMALDH1A1HPGD | |
| SCHEMBL15170804 | 0.68 | CYP11B2 (0.53) | CYP11B2JAK2JAK3AHRPDE10A | |
| SCHEMBL1811758 | 0.67 | JAK2 (0.50) | CYP11B2JAK2JAK3AHRPDE10A | |
| SCHEMBL2077769 | 0.67 | JAK2 (0.50) | CYP11B2JAK2JAK3EGFRPIK3CB | |
| SCHEMBL30601183 | 0.66 | CYP11B2 (0.51) | CYP11B2JAK2JAK3AHRPDE10A | |
| SCHEMBL10799076 | 0.66 | KDM4E (0.52) | CYP11B2JAK2JAK3EGFRNPC1 | |
| SCHEMBL15558291 | 0.66 | ALDH1A1 (0.49) | CYP11B2JAK2JAK3AHRPDE10A |
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 10 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 |
| 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 | CYP11B2 2295/4885JAK2 366/4885JAK3 647/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | CYP11B2 2295/4885JAK2 366/4885JAK3 647/4885 |
“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.