Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | HPGD | P15428 | 6/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.68 |
| ▸ | RELA | Q04206 | 1/20 | 0.68 |
| ▸ | ATR | Q13535 | 9/20 | 0.65 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420555 | 0.86 | ATR (0.67) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420743 | 0.86 | ATR (0.67) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420584 | 0.83 | ATR (0.60) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420549 | 0.82 | RAB9A (0.65) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL18177399 | 0.82 | ATR (0.71) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL18668541 | 0.81 | RAB9A (1.00) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420547 | 0.80 | NPC1 (0.61) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420541 | 0.80 | ATR (0.63) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420540 | 0.80 | ATR (0.66) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16420693 | 0.80 | ATR (0.63) | RAB9AALDH1A1HPGDSMN1; SMN2KDM4E |
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 | RAB9A 3002/4885ALDH1A1 3961/4885HPGD 2984/4885 |
| US-20180170922-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | RAB9A 3002/4885ALDH1A1 3961/4885HPGD 2984/4885 |
| US-20160311809-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | RAB9A 3002/4885ALDH1A1 3961/4885HPGD 2984/4885 |
| US-20150051187-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | RAB9A 3002/4885ALDH1A1 3961/4885HPGD 2984/4885 |
“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.