Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 19/20 | 0.60 |
| ▸ | CCND1 | P24385 | 19/20 | 0.60 |
| ▸ | CCND2 | P30279 | 16/20 | 0.60 |
| ▸ | CCND3 | P30281 | 16/20 | 0.60 |
| ▸ | NUAK1 | O60285 | 3/20 | 0.60 |
| ▸ | MARK3 | P27448 | 2/20 | 0.60 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.60 |
| ▸ | MARK4 | Q96L34 | 2/20 | 0.60 |
| ▸ | NUAK2 | Q9H093 | 2/20 | 0.60 |
| ▸ | MARK1 | Q9P0L2 | 2/20 | 0.60 |
| ▸ | CCNE1 | P24864 | 7/20 | 0.55 |
| ▸ | CDK2 | P24941 | 7/20 | 0.55 |
| ▸ | CCNE2 | O96020 | 6/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.55 |
| ▸ | CDK1 | P06493 | 5/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.55 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.55 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.55 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3339620 | 0.92 | CDK4 (0.55) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL3341919 | 0.92 | CDK4 (0.62) | CDK4CCND1CCND2CCND3NUAK1 | |
| Hydrochloric Acid SCHEMBL3344416 | 0.91 | CDK4 (0.62) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL3337716 | 0.88 | CDK4 (0.64) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL4218296 | 0.86 | PIK3CA (0.48) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL4225865 | 0.85 | WEE1 (0.54) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL3338442 | 0.84 | PIK3CA (0.49) | CDK4CCND1CCND2CCND3NUAK1 | |
| Hydrochloric Acid SCHEMBL3345003 | 0.83 | PIK3CA (0.48) | CDK4CCND1CCND2CCND3NUAK1 | |
| SCHEMBL4231611 | 0.83 | PIK3CA (0.44) | CDK4CCND1CCND2CCND3CDK1 | |
| SCHEMBL4226910 | 0.80 | CDK4 (0.56) | CDK4CCND1CCND2CCND3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931670-B1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | EXELIXIS INC (US) | 2012-09-12 | — | — | EP | claimed |
| US-8247408-B2 | Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer | EXELIXIS, INC. (US) | 2012-08-21 | — | — | US | claimed |
| US-20090062274-A1 | Pyridopyrimidinone inhibitors of pi3kalpha | EXELIXIS, INC (US) | 2009-03-05 | — | — | US | claimed |
| EP-1931670-B1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | EXELIXIS INC (US) | 2012-09-12 | — | — | EP | disclosed |
| EP-1931670-B1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3K | EXELIXIS INC (US) | 2012-09-12 | — | — | EP | disclosed |
| US-8247408-B2 | Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer | EXELIXIS, INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-8247408-B2 | Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer | EXELIXIS, INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20090062274-A1 | Pyridopyrimidinone inhibitors of pi3kalpha | EXELIXIS, INC (US) | 2009-03-05 | — | — | US | disclosed |
| US-20090062274-A1 | Pyridopyrimidinone inhibitors of pi3kalpha | EXELIXIS, INC (US) | 2009-03-05 | — | — | US | disclosed |
| US-20090062274-A1 | Pyridopyrimidinone inhibitors of pi3kalpha | EXELIXIS, INC (US) | 2009-03-05 | — | — | US | disclosed |
| WO-2007044698-A1 | PYRIDOPYRIMIDINONE INHIBITORS OF PI3Kα | EXELIXIS, INC. (US) | 2007-04-19 | — | — | 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 (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-20090062274-A1 | Pyridopyrimidinone inhibitors of pi3kalpha | PIK3CA, PIK3CD, PIK3CB | CDK4 265/4885CCND1 805/4885CCND2 1449/4885 |
“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.