Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.31 |
| ▸ | INSR | P06213 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL3543105 | 0.86 | SMN1; SMN2 (0.38) | SMN1; SMN2RAD52CYP11B1CYP11B2ABL1 | |
| SCHEMBL3542695 | 0.84 | KDM4E (0.37) | ALDH1A1KDM4ELMNASMN1; SMN2RAD52 | |
| SCHEMBL3543713 | 0.84 | RAD52 (0.38) | ALDH1A1KDM4ESMN1; SMN2HSD17B10RAD52 | |
| SCHEMBL3543954 | 0.84 | RPS6KA3 (0.45) | SMN1; SMN2RAD52CYP11B1CYP11B2ABL1 | |
| SCHEMBL3543108 | 0.83 | DRD2 (0.36) | SMN1; SMN2RAD52PLK1DRD2DRD3 | |
| SCHEMBL3543738 | 0.82 | SMN1; SMN2 (0.35) | SMN1; SMN2RAD52CYP11B1CYP11B2ABL1 | |
| SCHEMBL3548150 | 0.82 | RPS6KA3 (0.37) | SMN1; SMN2NPC1RAB9ARAD52CYP11B1 | |
| SCHEMBL3538427 | 0.82 | TLR9 (0.41) | SMN1; SMN2 | |
| SCHEMBL3543190 | 0.81 | TRPC5 (0.36) | SMN1; SMN2RAD52CYP11B1CYP11B2PLK1 | |
| SCHEMBL3539514 | 0.81 | SMN1; SMN2 (0.34) | SMN1; SMN2RAD52CYP11B1CYP11B2ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 1365/4885KDM4E 1150/4885MITF 2637/4885 |
“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.