Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7453323 | 0.88 | ALDH1A1 (0.36) | NPSR1PDPK1ATRALDH1A1MAPK1 | |
| SCHEMBL2386488 | 0.83 | SSTR4 (0.34) | PDPK1ALDH1A1AAK1SSTR4USP30 | |
| SCHEMBL25223691 | 0.82 | NPSR1 (0.33) | NPSR1PDPK1ATRALDH1A1MAPK1 | |
| SCHEMBL7455268 | 0.82 | PDPK1 (0.36) | NPSR1PDPK1ATRALDH1A1MAPK1 | |
| SCHEMBL29498381 | 0.81 | CCR4 (0.38) | — | |
| SCHEMBL6826893 | 0.81 | CCR4 (0.38) | — | |
| SCHEMBL7453715 | 0.81 | NPSR1 (0.33) | NPSR1PDPK1ATRALDH1A1MAPK1 | |
| SCHEMBL25227083 | 0.81 | NPSR1 (0.33) | NPSR1PDPK1ATRALDH1A1 | |
| SCHEMBL21698456 | 0.81 | PDPK1 (0.30) | PDPK1 | |
| SCHEMBL20839302 | 0.81 | PDPK1 (0.35) | PDPK1AAK1SYKSSTR4USP30 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2580207-B1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-09-27 | — | — | EP | disclosed |
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8703768-B2 | Nitrogen containing heteroaryl compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-8623866-B2 | — | — | 2014-01-07 | — | — | US | disclosed |
| EP-2580207-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-04-17 | — | — | EP | 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 |
| WO-2011154327-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | WO | disclosed |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-15 | — | — | 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 (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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | NPSR1 4343/4885PDPK1 73/4885ATR 1/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | NPSR1 4343/4885PDPK1 73/4885ATR 1/4885 |
| US-20110306589-A1 | NITROGEN CONTAINING HETEROARYL COMPOUNDS | PDE10A, PDE3A, PDE2A | NPSR1 148/4885PDPK1 2303/4885ATR 2553/4885 |
“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.