Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 8/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.61 |
| ▸ | AURKA | O14965 | 3/20 | 0.61 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.61 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.61 |
| ▸ | GSK3B | P49841 | 6/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.53 |
| ▸ | PIM1 | P11309 | 5/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | PAK4 | O96013 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.47 |
| ▸ | CLK1 | P49759 | 2/20 | 0.47 |
| ▸ | CLK2 | P49760 | 2/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.47 |
| ▸ | CLK3 | P49761 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15757343 | 0.81 | BPTF (0.64) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL15758039 | 0.78 | NUDT1 (0.52) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL30962396 | 0.76 | ROCK2 (0.47) | AURKBROCK1GSK3BROCK2PIM1 | |
| SCHEMBL15756768 | 0.75 | NUDT1 (0.55) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL15757204 | 0.75 | AURKA (0.58) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL29354919 | 0.74 | ROCK2 (0.58) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL7716146 | 0.74 | ROCK2 (0.58) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL15757498 | 0.73 | AURKA (0.57) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL28043889 | 0.73 | TGFBR1 (0.43) | AURKBROCK1AURKAPDPK1TGFBR1 | |
| SCHEMBL15758017 | 0.73 | NUDT1 (0.57) | AURKBROCK1AURKAPDPK1TGFBR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170217961-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2017-08-03 | — | — | US | disclosed |
| US-9604937-B2 | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2017-03-28 | — | — | US | disclosed |
| US-20160002175-A1 | Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer | THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) | 2016-01-07 | — | — | 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 (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-20160002175-A1 | Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer | DPYD, MTHFD1, TYMS | AURKB 1009/4885ROCK1 3881/4885AURKA 1635/4885 |
| US-20170217961-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER | DPYD, MTHFD1, TYMS | AURKB 1189/4885ROCK1 3913/4885AURKA 1782/4885 |
“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.