Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14554926 | 0.84 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14554910 | 0.80 | CLK4 (0.51) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL28114877 | 0.80 | CLK4 (0.61) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14554891 | 0.79 | CLK4 (0.62) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14554941 | 0.78 | CLK4 (0.48) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL25588033 | 0.77 | PRMT6 (0.50) | ALDH1A1TSHRMEN1KMT2AMAPT | |
| SCHEMBL4554748 | 0.75 | MAP4K4 (0.54) | CLK4CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL27209672 | 0.75 | GAA (0.46) | ALDH1A1LMNASMN1; SMN2TDP1MEN1 | |
| SCHEMBL25584924 | 0.75 | MAPK1 (0.47) | ALDH1A1SMN1; SMN2TDP1MEN1KMT2A | |
| SCHEMBL14438360 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRMEN1KMT2AMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | CLK4 4593/4885CYP1A2 584/4885CYP3A4 2492/4885 |
“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.