Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 10/20 | 0.39 |
| ▸ | NTRK3 | Q16288 | 3/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 3/20 | 0.36 |
| ▸ | PLK4 | O00444 | 2/20 | 0.36 |
| ▸ | PAK4 | O96013 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964062 | 0.92 | NTRK1 (0.45) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3967278 | 0.84 | PIK3C3 (0.40) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3972203 | 0.81 | AURKA (0.45) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3969451 | 0.79 | NTRK1 (0.50) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3968575 | 0.78 | AURKA (0.46) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3968846 | 0.75 | AURKA (0.42) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3968585 | 0.74 | SYK (0.46) | NTRK1NTRK3NTRK2AURKAAURKB | |
| SCHEMBL3967347 | 0.74 | PAK4 (0.47) | NTRK1AURKAAURKBRAB9APAK4 | |
| SCHEMBL13716663 | 0.73 | KDM4E (0.42) | NTRK1NPC1TP53CYP1A2CYP2C19 | |
| SCHEMBL3963984 | 0.72 | AURKA (0.44) | NTRK1NTRK3NTRK2AURKAAURKB |
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 4 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 |
| 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 | NTRK1 4316/4885NTRK3 3828/4885NTRK2 4162/4885 |
“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.