Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 13/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.34 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4088951 | 0.88 | POLB (0.37) | PIN1VCAM1STK17BSTK17A | |
| SCHEMBL3666691 | 0.86 | STK17B (0.36) | STK17BSTK17A | |
| SCHEMBL3648698 | 0.85 | LMNA (0.38) | PIN1MAPK1VCAM1L3MBTL1THRA | |
| SCHEMBL4079489 | 0.82 | PIN1 (0.35) | PIN1MAPTSTK17BSTK17A | |
| SCHEMBL27847311 | 0.80 | PIN1 (0.34) | PIN1MAPTVCAM1STK17BSTK17A | |
| SCHEMBL4079516 | 0.79 | KMT2A (0.35) | PIN1MAPTALDH1A1 | |
| SCHEMBL10286386 | 0.75 | MAPT (0.43) | PIN1MAPTVCAM1L3MBTL1 | |
| SCHEMBL11749778 | 0.73 | PIN1 (0.45) | PIN1MAPTMAPK1L3MBTL1ALDH1A1 | |
| SCHEMBL1202769 | 0.72 | PIN1 (0.47) | PIN1MAPK1ALDH1A1 | |
| SCHEMBL1204064 | 0.71 | PIN1 (0.38) | PIN1MAPK1L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102746175-A | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| CN-101636399-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE CH | 2012-04-18 | — | — | CN | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| US-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-25 | — | — | 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-20080234255-A1 | SUBSTITUTED PYRIMIDODIAZEPINES | PLK1, CCNI, CDK1 | PIN1 792/4885MAPT 2296/4885CYP3A4 2616/4885 |
“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.