Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL617515 | 0.80 | ATR (0.54) | MAPTKDM4EALDH1A1NPC1LMNA | |
| SCHEMBL617614 | 0.75 | ATR (0.56) | MAPTKDM4EALDH1A1LMNAATR | |
| SCHEMBL16103441 | 0.73 | L3MBTL1 (0.40) | KDM4EATRPRKDCATMCA12 | |
| SCHEMBL615189 | 0.72 | KDM4E (0.46) | MAPTKDM4EALDH1A1PTPN11NPC1 | |
| SCHEMBL615700 | 0.72 | ATR (0.61) | ATRPRKDC | |
| SCHEMBL617731 | 0.72 | KMT2A (0.49) | MAPTKDM4EALDH1A1PTPN11NPC1 | |
| SCHEMBL2497637 | 0.72 | ATR (0.46) | MAPTKDM4EALDH1A1PTPN11NPC1 | |
| SCHEMBL615185 | 0.71 | ATR (0.54) | MAPTKDM4EALDH1A1LMNARAB9A | |
| SCHEMBL615439 | 0.71 | KDM4E (0.47) | MAPTKDM4EALDH1A1PTPN11LMNA | |
| SCHEMBL2464754 | 0.71 | KDM4E (0.50) | MAPTKDM4EALDH1A1PTPN11NPC1 |
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 | MAPT 3458/4885KDM4E 2868/4885ALDH1A1 3958/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | MAPT 3458/4885KDM4E 2868/4885ALDH1A1 3958/4885 |
“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.