Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14616581 | 0.95 | LMNA (0.42) | LMNAKDM4EKMT2AMAPTHTT | |
| SCHEMBL14575733 | 0.82 | ATR (0.47) | ATMPRKDCATRCYP2C9 | |
| SCHEMBL14574938 | 0.81 | ATR (0.43) | ATMMAPK1PRKDCATRCYP2C9 | |
| SCHEMBL14575683 | 0.80 | ATR (0.45) | ATMPRKDCATRCYP2C9 | |
| SCHEMBL14575093 | 0.79 | ATR (0.53) | CA1CA2ATMPRKDCATR | |
| SCHEMBL14575797 | 0.78 | PIK3CA (0.40) | ATMPRKDCATR | |
| SCHEMBL14616613 | 0.78 | ATR (0.44) | CA1CA9ATMPRKDCATR | |
| SCHEMBL14575236 | 0.78 | ATR (0.58) | CA1CA2ATMPRKDCATR | |
| SCHEMBL14616593 | 0.77 | ATR (0.48) | ATMPRKDCATRCYP2C9 | |
| SCHEMBL16975964 | 0.77 | ATR (0.48) | ALDH1A1CA1CA2CA7CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150376187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2015-12-31 | — | — | US | disclosed |
| US-20150376187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) | 2015-12-31 | — | — | US | disclosed |
| US-9096602-B2 | Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| US-9096602-B2 | Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-08-04 | — | — | US | disclosed |
| US-20130017273-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-17 | — | — | US | disclosed |
| US-20130017273-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-17 | — | — | US | 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-20150376187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | LMNA 2095/4885KDM4E 1959/4885KMT2A 1820/4885 |
| US-20130017273-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | LMNA 2095/4885KDM4E 1959/4885KMT2A 1820/4885 |
“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.