Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2749588 | 0.78 | MAOB (0.54) | GRM4PLAUKCNH2SCN5ANPC1 | |
| SCHEMBL2931547 | 0.73 | ATR (0.53) | PLAUKCNH2SCN5A | |
| SCHEMBL2387709 | 0.73 | ATM (0.56) | NPC1RAB9AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL2878099 | 0.72 | GRM4 (0.55) | GRM4PLAUKCNH2SCN5ANPC1 | |
| SCHEMBL29225196 | 0.72 | MAOB (0.50) | GRM4NPC1RAB9AMAPTMAOB | |
| SCHEMBL29224996 | 0.72 | GRM4 (0.48) | GRM4PLAUKCNH2SCN5ANPC1 | |
| SCHEMBL23828585 | 0.71 | MAPT (0.52) | PLAUMAPTADORA2AALDH1A1KDM4E | |
| SCHEMBL10178246 | 0.71 | ATR (0.60) | KCNH2NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL23828417 | 0.70 | ADORA2A (0.39) | NPC1RAB9AMAPTADORA2AALDH1A1 | |
| SCHEMBL103158 | 0.70 | MAOB (0.63) | GRM4NPC1RAB9AMAPTMAOB |
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 17 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 |
| EP-2044051-B1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB PUBL (SE) | 2010-01-27 | — | — | EP | disclosed |
| EP-2044051-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB (publ) (SE) | 2009-04-08 | — | — | EP | disclosed |
| US-20080039450-A1 | Compounds | BIOVITRUM AB (PUBL.) (SE) | 2008-02-14 | — | — | US | disclosed |
| US-20080039450-A1 | Compounds | BIOVITRUM AB (PUBL.) (SE) | 2008-02-14 | — | — | US | disclosed |
| US-20080039450-A1 | Compounds | BIOVITRUM AB (PUBL.) (SE) | 2008-02-14 | — | — | US | disclosed |
| WO-2007147874-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB (PUBL) (SE) | 2007-12-27 | — | — | WO | disclosed |
| WO-2007147874-A1 | PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS | BIOVITRUM AB (PUBL) (SE) | 2007-12-27 | — | — | 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 (3 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-20080039450-A1 | Compounds | NEK2, CSNK2A3, CSNK2A1 | GRM4 2103/4885PLAU 2120/4885KCNH2 1056/4885 |
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | GRM4 4309/4885PLAU 4227/4885KCNH2 3467/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | GRM4 4309/4885PLAU 4227/4885KCNH2 3467/4885 |
“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.