Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | CNR1 | P21554 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | GRM5 | P41594 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| SCHEMBL10134816 | 0.94 | JAK2 (0.53) | CDK2POLBSMN1; SMN2CNR1RAB9A | |
| SCHEMBL10134810 | 0.90 | RAB9A (0.56) | POLBSMN1; SMN2RAB9AGRM5NPC1 | |
| SCHEMBL10134808 | 0.87 | NPC1 (0.51) | POLBSMN1; SMN2RAB9ANPC1BRAF | |
| SCHEMBL10134802 | 0.82 | KMT2A (0.54) | CDK2SMN1; SMN2NPC1BRAFKDM4E | |
| SCHEMBL10366486 | 0.82 | CDK2 (0.45) | CDK2POLBSMN1; SMN2CNR1RAB9A | |
| SCHEMBL7861675 | 0.79 | GRM5 (0.65) | POLBSMN1; SMN2CNR1RAB9AGRM5 | |
| SCHEMBL10134799 | 0.78 | NPC1 (0.48) | CNR1RAB9ANPC1 | |
| SCHEMBL14308717 | 0.77 | CDK2 (0.74) | CDK2RAB9ANPC1BRAFKDM4E | |
| SCHEMBL10134862 | 0.75 | POLB (0.51) | POLBSMN1; SMN2CNR1RAB9ANPC1 | |
| SCHEMBL10134912 | 0.75 | POLB (0.51) | POLBSMN1; SMN2CNR1RAB9ANPC1 |
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 2 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-20120035407-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | 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 (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 | CDK2 43/4885POLB 770/4885SMN1; SMN2 1678/4885 |
“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.