Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 13/20 | 0.50 |
| ▸ | GSK3B | P49841 | 7/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.49 |
| ▸ | SRC | P12931 | 3/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.47 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3967532 | 0.88 | AURKA (0.49) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3966771 | 0.88 | AURKA (0.50) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3972143 | 0.88 | AURKA (0.56) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3961734 | 0.86 | AURKA (0.51) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3967847 | 0.85 | AURKA (0.51) | AURKAGSK3BAURKBITKPLK4 | |
| SCHEMBL3969297 | 0.84 | AURKA (0.60) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3963973 | 0.84 | AURKA (0.52) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3964345 | 0.84 | NTRK1 (0.49) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3967250 | 0.83 | DHODH (0.48) | AURKAGSK3BAURKBSRCGSK3A | |
| SCHEMBL3968602 | 0.83 | NTRK1 (0.46) | AURKAGSK3BAURKBSRCGSK3A |
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 11 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 |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | claimed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| 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 |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | 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 |
| 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 | AURKA 1165/4885GSK3B 842/4885AURKB 1334/4885 |
“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.