Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 11/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.45 |
| ▸ | PLK4 | O00444 | 2/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 2/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3967592 | 0.90 | AURKA (0.51) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3966855 | 0.86 | AURKA (0.49) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3963924 | 0.84 | AURKA (0.46) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3972199 | 0.83 | AURKA (0.47) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3967146 | 0.82 | AURKA (0.43) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3975930 | 0.82 | PAK4 (0.42) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL14520024 | 0.82 | PAK4 (0.42) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3961753 | 0.81 | AURKA (0.45) | AURKAAURKBGSK3BPIK3C3PLK4 | |
| SCHEMBL3964107 | 0.81 | AURKA (0.58) | AURKAAURKBGSK3BPLK4HPGDS | |
| SCHEMBL3966868 | 0.80 | AURKA (0.50) | AURKAAURKBGSK3BRETPAK4 |
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 7 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 | 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 |
| 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 1165/4885AURKB 1334/4885GSK3B 842/4885 |
“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.