Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 7/20 | 0.34 |
| ▸ | CDK4 | P11802 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | ALPI | P09923 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16764299 | 0.83 | MAPK8 (0.48) | KDM4EHSD17B10ALDH1A1HPGDMAPT | |
| SCHEMBL18816951 | 0.77 | ALDH1A1 (0.40) | AKT1AKT2CDK2CDK4KDM4E | |
| SCHEMBL18817237 | 0.77 | MEN1 (0.38) | AKT1AKT2CDK2CDK4KDM4E | |
| SCHEMBL21033318 | 0.73 | MAPT (0.35) | AKT1AKT2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL18365956 | 0.71 | RIPK1 (0.44) | AKT1AKT2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL12425929 | 0.71 | AKT1 (0.37) | AKT1AKT2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21033315 | 0.70 | PTGS1 (0.41) | KDM4EHSD17B10ALDH1A1PTGS2 | |
| SCHEMBL30845864 | 0.70 | PDE10A (0.43) | AKT1AKT2KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL30492134 | 0.67 | RIPK1 (0.43) | AKT1AKT2KDM4EALDH1A1ALPL | |
| SCHEMBL167782 | 0.66 | KDM4E (0.47) | KDM4EHSD17B10ALDH1A1HPGD |
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-20160326180-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-10 | — | — | US | disclosed |
| EP-3077393-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2016-10-12 | — | — | EP | disclosed |
| US-20150158868-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED | 2015-06-11 | — | — | US | disclosed |
| WO-2015084384-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-06-11 | — | — | 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-20150158868-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, MAP3K20, CHEK1 | AKT1 76/4885AKT2 163/4885CDK2 194/4885 |
| US-20160326180-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, MAP3K20, CHEK1 | AKT1 76/4885AKT2 163/4885CDK2 194/4885 |
“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.