Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2552999 | 0.89 | PIK3CA (0.48) | PIK3CAMAPK1ABL1 | |
| SCHEMBL2549160 | 0.87 | MAPK1 (0.46) | PIK3CAMAPK1 | |
| SCHEMBL12814567 | 0.86 | MAPK1 (0.50) | PIK3CAMAPK1ABL1 | |
| SCHEMBL2551729 | 0.83 | MAPK1 (0.46) | PIK3CAMAPK1ABL1 | |
| SCHEMBL2551735 | 0.83 | MAPK1 (0.46) | PIK3CAMAPK1ABL1 | |
| SCHEMBL2551574 | 0.83 | ABL1 (0.55) | MAPK1ABL1 | |
| SCHEMBL2545659 | 0.82 | — | — | |
| SCHEMBL2552928 | 0.81 | MAPK1 (0.48) | MAPK1ABL1 | |
| SCHEMBL2552905 | 0.81 | PIK3CA (0.46) | PIK3CAMAPK1 | |
| SCHEMBL2549061 | 0.81 | MAPK1 (0.47) | MAPK1ABL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | BUR DANIEL (CH) | 2013-04-18 | — | — | US | disclosed |
| EP-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | 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-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | CLIC1, IRF3, KCNH3 | PIK3CA 3066/4885MAPK1 3610/4885ABL1 14/4885 |
“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.