Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.60 |
| ▸ | SCN2A | Q99250 | 8/20 | 0.58 |
| ▸ | SCN10A | Q9Y5Y9 | 8/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | PRKDC | P78527 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19101054 | 0.90 | SCN10A (0.56) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL16489058 | 0.90 | ATR (0.62) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL16489065 | 0.90 | ATR (0.63) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL19101081 | 0.87 | SCN10A (0.60) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL16489053 | 0.87 | ATR (0.62) | ATRSCN2ASCN10ANPC1RAB9A | |
| SCHEMBL16489091 | 0.86 | ATR (0.60) | ATRSCN2ASCN10ACNR1PTPN1 | |
| SCHEMBL16489066 | 0.86 | ATR (0.64) | ATRSCN2ASCN10AALDH1A1PRKDC | |
| SCHEMBL16420770 | 0.84 | ATR (0.66) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL19101082 | 0.84 | SCN10A (0.54) | ATRSCN2ASCN10AKDM4ENPC1 | |
| SCHEMBL16489063 | 0.84 | ATR (0.62) | ATRSCN2ASCN10ACNR1SMN1; SMN2 |
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 4 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-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-02-19 | — | — | 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 (3 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-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885 |
“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.