Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 15/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.45 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1026280 | 0.91 | NPSR1 (0.59) | ATRPIK3CAMAPTTSHRMAPK1 | |
| SCHEMBL1026930 | 0.89 | PIK3CA (0.53) | ATRPIK3CAPIK3CBPIK3CGMAPT | |
| SCHEMBL17309137 | 0.83 | ATR (0.57) | ATRPIK3CATDO2CHEK1PDCD1 | |
| SCHEMBL1029284 | 0.83 | ATR (0.55) | ATRPIK3CAMAPTTDO2PDCD1 | |
| SCHEMBL3606922 | 0.82 | ATR (0.50) | ATRPIK3CAMAPTTSHRMAPK1 | |
| SCHEMBL3604656 | 0.81 | ATR (0.47) | ATRPIK3CATDO2CHEK1PDCD1 | |
| SCHEMBL3588246 | 0.81 | ATR (0.52) | ATRPIK3CAPIK3CBTDO2CHEK1 | |
| SCHEMBL3258608 | 0.80 | ATR (0.54) | ATRTDO2CHEK1PDCD1ATRIP | |
| SCHEMBL1029136 | 0.79 | ATR (0.47) | ATRPIK3CATDO2PDCD1CD274 | |
| SCHEMBL3588242 | 0.79 | ATR (0.53) | ATRTDO2CHEK1PDCD1ATRIP |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150546-B1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | claimed |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | US | claimed |
| EP-2150546-B1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | HOFFMANN LA ROCHE (CH) | 2011-01-19 | — | — | EP | disclosed |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | US | disclosed |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | US | disclosed |
| US-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-27 | — | — | US | disclosed |
| EP-2150546-A2 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | F. Hoffmann-Roche AG (CH) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008125839-A2 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | PIRAMED LIMITED (GB) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008125839-A2 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | PIRAMED LIMITED (GB) | 2008-10-23 | — | — | 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-20100130496-A1 | PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE | PIK3CA, PIP5K1B, PIK3CD | ATR 453/4885PIK3CA 1/4885PIK3CB 5/4885 |
“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.