Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.69 |
| ▸ | ATR | Q13535 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | SCN2A | Q99250 | 5/20 | 0.61 |
| ▸ | SCN10A | Q9Y5Y9 | 5/20 | 0.61 |
| ▸ | BRAF | P15056 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL19101078 | 0.91 | SCN2A (0.67) | IRAK4ATRKDM4ELMNAMAPT | |
| SCHEMBL16420795 | 0.87 | IRAK4 (0.67) | IRAK4ATRKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL19101086 | 0.86 | PRKDC (0.65) | ATRKDM4EMAPTSMN1; SMN2SCN2A | |
| SCHEMBL16420805 | 0.85 | ATR (0.66) | IRAK4ATRLMNACYP1A2CYP3A4 | |
| SCHEMBL16420800 | 0.83 | SCN2A (0.54) | IRAK4ATRKDM4ELMNACYP1A2 | |
| SCHEMBL16420807 | 0.83 | ATR (0.69) | IRAK4ATRKDM4ELMNAMAPT | |
| SCHEMBL16489076 | 0.82 | ATR (0.68) | IRAK4ATRSCN2ASCN10ABRAF | |
| SCHEMBL16420803 | 0.82 | IRAK4 (0.63) | IRAK4ATRLMNACYP3A4MAPT | |
| SCHEMBL2484266 | 0.81 | ATR (1.00) | ATRCYP3A4 | |
| SCHEMBL16489075 | 0.81 | ATR (0.69) | IRAK4ATRSCN2ASCN10AMEN1 |
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 | IRAK4 337/4885ATR 1/4885KDM4E 2108/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | IRAK4 337/4885ATR 1/4885KDM4E 2108/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | IRAK4 337/4885ATR 1/4885KDM4E 2108/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | IRAK4 337/4885ATR 1/4885KDM4E 2108/4885 |
“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.