Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 18/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 18/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.66 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.66 |
| ▸ | USP2 | O75604 | 6/20 | 0.66 |
| ▸ | MEN1 | O00255 | 5/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.64 |
| ▸ | GLA | P06280 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15917854 | 0.89 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL1172063 | 0.74 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14555013 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14554837 | 0.74 | HDAC3 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14554932 | 0.74 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL15917388 | 0.74 | VNN1 (0.53) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14554902 | 0.73 | CLK4 (0.47) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14486092 | 0.73 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14554931 | 0.71 | CLK4 (0.47) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 | |
| SCHEMBL14486182 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CLK4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2729459-B1 | SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2018-08-22 | — | — | EP | disclosed |
| US-9199962-B2 | Substituted azaheterocycles for the treatment of cancer | MERCK PATENT GMBH (DE) | 2015-12-01 | — | — | US | disclosed |
| US-9199962-B2 | Substituted azaheterocycles for the treatment of cancer | MERCK PATENT GMBH (DE) | 2015-12-01 | — | — | US | disclosed |
| US-9199962-B2 | Substituted azaheterocycles for the treatment of cancer | MERCK PATENT GMBH (DE) | 2015-12-01 | — | — | US | disclosed |
| US-20140221366-A1 | Substituted Azaheterocycles for the Treatment of Cancer | MERCK PATENT GMBH (DE) | 2014-08-07 | — | — | US | disclosed |
| US-20140221366-A1 | Substituted Azaheterocycles for the Treatment of Cancer | MERCK PATENT GMBH (DE) | 2014-08-07 | — | — | US | disclosed |
| US-20140221366-A1 | Substituted Azaheterocycles for the Treatment of Cancer | MERCK PATENT GMBH (DE) | 2014-08-07 | — | — | 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 (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-20140221366-A1 | Substituted Azaheterocycles for the Treatment of Cancer | CCNH, CCNA1, MYC | CYP1A2 584/4885CYP3A4 2492/4885CYP2C19 1924/4885 |
“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.