Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | B3GNT2 | Q9NY97 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 4/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754383 | 0.90 | ROCK2 (0.52) | ROCK2RIPK1TAS1R3TAS1R1ITK | |
| SCHEMBL5759216 | 0.88 | ITK (0.51) | HDAC6RIPK1IKBKBITK | |
| SCHEMBL5754329 | 0.86 | KMT2A (0.45) | HDAC6IKBKBTAS1R3TAS1R1ITK | |
| SCHEMBL5755542 | 0.84 | RIPK1 (0.44) | HDAC6ROCK2RIPK1IKBKBITK | |
| SCHEMBL6480600 | 0.84 | CHEK1 (0.43) | HDAC6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5756790 | 0.82 | RIPK1 (0.46) | HDAC6RIPK1ITKCYP17A1CYP3A4 | |
| SCHEMBL5754444 | 0.82 | HRH3 (0.46) | HDAC6ITKKDM4EALDH1A1HPGD | |
| SCHEMBL5757088 | 0.81 | RAB9A (0.48) | RIPK1KDM4EALDH1A1HPGDHPGDS | |
| SCHEMBL6486561 | 0.81 | ITK (0.41) | HDAC6IKBKBITKKDM4EALDH1A1 | |
| SCHEMBL5752904 | 0.81 | ITK (0.55) | HDAC6ITKKDM4EALDH1A1GLA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648884-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2006-04-26 | — | — | EP | disclosed |
| US-20050032869-A1 | Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | PHARMACIA ITALIA S.P.A. (IT) | 2005-02-10 | — | — | US | disclosed |
| WO-2005005414-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2005-01-20 | — | — | WO | 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-20050032869-A1 | Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them | MAP3K9, MAP3K20, MAP3K19 | HDAC6 739/4885ROCK2 600/4885RIPK1 404/4885 |
“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.