Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 8/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1203811 | 0.90 | ALDH1A1 (0.40) | KMT2AMEN1GAAS1PR1PIN1 | |
| SCHEMBL1203321 | 0.89 | ALDH1A1 (0.38) | KMT2AMEN1GAAPIN1SMN1; SMN2 | |
| SCHEMBL4079811 | 0.87 | ALDH1A1 (0.39) | KMT2AMEN1GAAS1PR1PIN1 | |
| SCHEMBL4079791 | 0.86 | MAPT (0.37) | KMT2AMEN1GAAS1PR1PIN1 | |
| SCHEMBL29260243 | 0.85 | PIN1 (0.39) | KMT2AGAAPIN1SMN1; SMN2LMNA | |
| SCHEMBL1458851 | 0.83 | PIN1 (0.34) | KMT2AMEN1GAAPIN1SMN1; SMN2 | |
| SCHEMBL3648455 | 0.83 | ALDH1A1 (0.38) | KMT2AMEN1GAAS1PR1PIN1 | |
| SCHEMBL27864402 | 0.82 | L3MBTL1 (0.35) | KMT2AMEN1GAAPIN1SMN1; SMN2 | |
| SCHEMBL1204212 | 0.82 | PIN1 (0.35) | KMT2AMEN1GAAPIN1LMNA | |
| SCHEMBL4079489 | 0.80 | PIN1 (0.35) | PIN1MAPTHTT |
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 | KMT2A 452/4885MEN1 1136/4885GAA 3095/4885 |
“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.