Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | ANPEP | P15144 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | HTR1F | P30939 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28975685 | 0.87 | NPC1 (0.57) | ALDH1A1DRD4MMP2ANPEPPOLB | |
| SCHEMBL30583813 | 0.87 | NPC1 (0.57) | ALDH1A1DRD4MMP2ANPEPPOLB | |
| SCHEMBL30583812 | 0.87 | NPC1 (0.57) | ALDH1A1DRD4MMP2ANPEPPOLB | |
| SCHEMBL16372164 | 0.84 | PKM (0.63) | ALDH1A1DRD4PKMPOLBMEN1 | |
| SCHEMBL10139158 | 0.84 | SLC6A5 (0.50) | ALDH1A1LMNAMMP2ANPEPHPGD | |
| SCHEMBL11359493 | 0.83 | ALDH1A1 (0.62) | ALDH1A1DRD4POLB | |
| SCHEMBL9835734 | 0.82 | KMT2A (0.66) | ALDH1A1LMNAHPGDPOLBMEN1 | |
| SCHEMBL15434058 | 0.82 | POLB (0.57) | ALDH1A1LMNADRD4HPGDPKM | |
| SCHEMBL26758000 | 0.82 | ALDH1A1 (0.58) | ALDH1A1LMNAPKMPOLBMEN1 | |
| SCHEMBL14110292 | 0.81 | KMT2A (0.63) | ALDH1A1DRD4MMP2ANPEPPOLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021074251-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | SENTINEL ONCOLOGY LIMITED (GB) | 2021-04-22 | — | — | WO | disclosed |
| CN-102746175-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | TAKAEDA CHEMICAL IND LTD | 2014-01-15 | — | — | CN | disclosed |
| WO-2012059932-A1 | 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |
| CN-101636399-A | Substituted pyrimido diazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2010-01-27 | — | — | CN | disclosed |
| EP-2139892-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-01-06 | — | — | EP | disclosed |
| US-7517873-B2 | Substituted pyrimidodiazepines | HOFFMAN-LA ROCHE INC. (US) | 2009-04-14 | — | — | US | disclosed |
| WO-2008113711-A1 | SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-25 | — | — | WO | 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 | ALDH1A1 1365/4885LMNA 1758/4885DRD4 1929/4885 |
“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.