Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 4/20 | 0.58 |
| ▸ | FYN | P06241 | 3/20 | 0.58 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.58 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.58 |
| ▸ | ATR | Q13535 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.56 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2271504 | 0.84 | MAP4K4 (0.65) | MAP4K4FYNMINK1TNIKATR | |
| SCHEMBL2640865 | 0.81 | MAP4K4 (0.72) | MAP4K4ATRNPC1RAB9AUSP7 | |
| SCHEMBL10310872 | 0.80 | CA2 (0.57) | ATRCA1CA2MAOAMAOB | |
| SCHEMBL2227291 | 0.79 | MAP4K4 (0.86) | MAP4K4FYNMINK1TNIKKCNH2 | |
| SCHEMBL2512070 | 0.78 | ATR (0.80) | ATRGSK3BPRKDC | |
| SCHEMBL29915261 | 0.77 | CA1 (0.51) | ATRCA1CA2MAOAMAOB | |
| SCHEMBL2227734 | 0.76 | MAP4K4 (0.75) | MAP4K4FYNMINK1TNIKKCNH2 | |
| SCHEMBL2227777 | 0.76 | FYN (0.70) | MAP4K4FYNMINK1TNIKKCNH2 | |
| SCHEMBL2226484 | 0.75 | MAP4K4 (0.78) | MAP4K4FYNMINK1TNIKKCNH2 | |
| SCHEMBL13968173 | 0.75 | MAP4K4 (0.73) | MAP4K4FYNMINK1TNIKKCNH2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | US | disclosed |
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | US | disclosed |
| US-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-08-27 | — | — | US | disclosed |
| US-9096584-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| US-9096584-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| US-9096584-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| EP-2569284-B1 | 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2015-07-08 | — | — | EP | disclosed |
| EP-2569284-B1 | 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2015-07-08 | — | — | EP | disclosed |
| EP-2569284-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| CN-102947272-A | 2 -aminopyridine derivatives useful as inhibitors of atr kinase | VERTEX PHARMA | 2013-02-27 | — | — | CN | disclosed |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011143422-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011143422-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | 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-20150239874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | MAP4K4 46/4885FYN 669/4885MINK1 259/4885 |
| US-20120177748-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K20 | MAP4K4 46/4885FYN 669/4885MINK1 259/4885 |
“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.