Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.37 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.37 |
| ▸ | CTPS1 | P17812 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15918698 | 0.91 | GPR55 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19GPR55 | |
| SCHEMBL14554943 | 0.82 | GPR55 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19GPR55 | |
| SCHEMBL15917525 | 0.80 | TRPV3 (0.53) | CYP1A2CYP3A4CYP2C19GPR55IDH1 | |
| SCHEMBL14554991 | 0.80 | TRPV3 (0.53) | CYP1A2CYP3A4CYP2C19GPR55IDH1 | |
| SCHEMBL14554935 | 0.78 | GPBAR1 (0.40) | CYP1A2CYP3A4CYP2C19GPR55IDH1 | |
| SCHEMBL14554937 | 0.78 | TRPV3 (0.41) | CYP1A2CYP3A4CYP2C19GPR55IDH1 | |
| SCHEMBL15917921 | 0.76 | PTK2 (0.47) | CYP1A2CYP2C9CYP2C19TAS2R14AURKA | |
| SCHEMBL15918059 | 0.74 | GPR55 (0.47) | CYP2C19GPR55IDH1MAPK14TRPV3 | |
| SCHEMBL14554839 | 0.74 | GPR55 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19GPR55 | |
| SCHEMBL14555000 | 0.74 | GPR55 (0.68) | GPR55IDH1MAPK14 |
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 5 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-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 2492/4885CYP2C9 3262/4885 |
“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.