Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 6/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL559824 | 0.86 | ATR (0.54) | ATRCHEK2MMP2MMP9MMP8 | |
| SCHEMBL561073 | 0.86 | CHEK2 (0.54) | ATRCHEK2 | |
| SCHEMBL559946 | 0.85 | ATR (0.51) | ALDH1A1HPGDHPSEATRCHEK2 | |
| SCHEMBL561015 | 0.84 | ATR (0.52) | ALDH1A1HPGDHTTATRCHEK2 | |
| SCHEMBL560755 | 0.83 | ATR (0.51) | ALDH1A1HPGDHTTHPSEATR | |
| SCHEMBL560098 | 0.83 | ATR (0.53) | ALDH1A1HPGDHTTATRCHEK2 | |
| SCHEMBL10165965 | 0.80 | ATR (0.52) | ALDH1A1HPGDHTTATRCHEK2 | |
| SCHEMBL560062 | 0.80 | ATR (0.49) | ALDH1A1HPGDATRCHEK2KDM4E | |
| SCHEMBL560151 | 0.80 | KMT2A (0.56) | ALDH1A1HPGDHTTATRKDM4E | |
| SCHEMBL560486 | 0.79 | ATR (0.51) | ALDH1A1HPGDTHRBHPSEATR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-8962631-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| EP-2569289-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | US | disclosed |
| WO-2011143419-A1 | PYRAZINES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | 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 (1 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-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | ALDH1A1 4062/4885HPGD 3072/4885THRB 1556/4885 |
“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.