Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 9/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 3/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL14520071 | 0.93 | RET (0.44) | RETCYP17A1CYP3A4AURKANPC1 | |
| SCHEMBL13716781 | 0.90 | RET (0.42) | RETKDM4EGAAAURKANAMPT | |
| SCHEMBL13716994 | 0.89 | HPGD (0.44) | RETKDM4EIGF1RNAMPTSYK | |
| SCHEMBL3973249 | 0.88 | RET (0.42) | RETCYP17A1CYP3A4AURKANPC1 | |
| SCHEMBL3966876 | 0.85 | AURKA (0.43) | RETAURKASYKCCNA2CDK2 | |
| SCHEMBL3973302 | 0.84 | RET (0.42) | RETKDM4EAURKASYKTOP2A | |
| SCHEMBL3965029 | 0.84 | RET (0.40) | RETAURKASYK | |
| SCHEMBL3966825 | 0.84 | AURKA (0.51) | RETAURKANPC1RAB9ASYK | |
| SCHEMBL3964146 | 0.83 | TTK (0.48) | RETAURKASYKCCNA2CDK2 | |
| SCHEMBL3967165 | 0.80 | AURKA (0.44) | RETGAAAURKA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | claimed |
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | claimed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | claimed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | claimed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | 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-20070179151-A1 | Isoquinoline aminopyrazole derivatives | CYP3A5, CYP3A43, CYP3A4 | RET 2491/4885CYP17A1 1163/4885CYP3A4 3/4885 |
“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.