Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL2835654 | 1.00 | NPSR1 (0.48) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL3279377 | 0.86 | P2RX7 (0.51) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL12424099 | 0.85 | NPSR1 (0.47) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL13626004 | 0.85 | NPSR1 (0.47) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL20643747 | 0.85 | NPSR1 (0.47) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL29240007 | 0.83 | ALDH1A1 (0.42) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7401685 | 0.82 | NPSR1 (0.45) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL13614085 | 0.82 | DPP4 (0.47) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7401687 | 0.82 | NPSR1 (0.45) | NPSR1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL26328139 | 0.82 | RAB9A (0.49) | NPSR1POLBSMN1; SMN2TSHRFKBP5 |
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 5 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-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 |
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 | NPSR1 4343/4885CYP3A4 4480/4885CYP2C9 4697/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | NPSR1 4343/4885CYP3A4 4480/4885CYP2C9 4697/4885 |
“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.