Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.49 |
| ▸ | LDLR | P01130 | 3/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4826984 | 0.92 | AURKA (0.51) | AURKAAURKBLDLRCHEK1SRC | |
| SCHEMBL4829102 | 0.87 | AURKA (0.57) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4962295 | 0.87 | AURKA (0.51) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4824803 | 0.87 | AURKA (0.51) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4829418 | 0.86 | AURKA (0.58) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4824930 | 0.86 | AURKA (0.54) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4821939 | 0.86 | AURKA (0.54) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4827079 | 0.86 | AURKA (0.55) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4825548 | 0.84 | AURKA (0.54) | AURKAAURKBCHEK1SRCCDK2 | |
| SCHEMBL4821874 | 0.84 | AURKA (0.55) | AURKAAURKBCHEK1SRCCDK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060235065-A1 | Aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2006-10-19 | — | — | US | claimed |
| US-7462639-B2 | e.g 3-(7,7-Dimethyl-6-oxo-1,5,6,7-tetrahydro-imidazo[4,5-f]indol-2-yl)-1H-pyrazol-4-yl]-carbamic acid benzyl ester; Aurora A (serotonin/threonine) kinase inhibitors; anticarcinogenic agent; colorectal, breast, lung, prostate, pancreatic, gastric, bladder, ovarian cancer, melanoma, neuroblastoma | HOFFMANN-LA ROCHE INC. (US) | 2008-12-09 | — | — | US | disclosed |
| EP-1879894-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-20060235065-A1 | Aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2006-10-19 | — | — | US | disclosed |
| WO-2006108489-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | 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-20060235065-A1 | Aminopyrazole derivatives | CYP3A43, CYP3A5, CYP3A4 | AURKA 742/4885AURKB 1096/4885LDLR 4863/4885 |
“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.