Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 19/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826204 | 0.89 | ATR (0.56) | ATRKDM4EALDH1A1PKMHPGD | |
| SCHEMBL16420532 | 0.89 | ATR (0.69) | ATR | |
| SCHEMBL16420656 | 0.87 | ATR (0.72) | ATRKDM4EALDH1A1HPGD | |
| SCHEMBL16420464 | 0.84 | ATR (0.71) | ATRALDH1A1 | |
| SCHEMBL16420513 | 0.82 | ATR (0.72) | ATRKDM4EALDH1A1HPGD | |
| SCHEMBL13138260 | 0.82 | ATR (1.00) | ATR | |
| SCHEMBL16420575 | 0.81 | ATR (0.73) | ATR | |
| SCHEMBL16420515 | 0.81 | ATR (0.74) | ATR | |
| SCHEMBL16420471 | 0.81 | ATR (0.73) | ATRALDH1A1HPGD | |
| SCHEMBL16420530 | 0.81 | ATR (0.73) | ATR |
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-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2018-06-21 | — | — | US | disclosed |
| US-9701674-B2 | Substituted pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-11 | — | — | US | disclosed |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-10-27 | — | — | US | disclosed |
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-02-19 | — | — | US | disclosed |
| US-20150031661-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-01-29 | — | — | 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 (4 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-20150031661-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885KDM4E 2108/4885ALDH1A1 3961/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885KDM4E 2108/4885ALDH1A1 3961/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885KDM4E 2108/4885ALDH1A1 3961/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885KDM4E 2108/4885ALDH1A1 3961/4885 |
“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.