Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12410299 | 0.83 | PIK3CA (0.57) | ABL1PIK3CAMAPK8MAPK9MAPK10 | |
| SCHEMBL4302554 | 0.80 | ABL1 (0.61) | ABL1NPC1RAB9AGSK3ACDK9 | |
| SCHEMBL27897933 | 0.80 | RAB9A (0.74) | NPC1RAB9A | |
| SCHEMBL2551098 | 0.79 | ABL1 (0.48) | ABL1NPC1RAB9APIK3CAMAPK1 | |
| SCHEMBL1505643 | 0.79 | JAK2 (0.54) | NPC1RAB9APIK3CAMAPK8MAPK9 | |
| SCHEMBL2547159 | 0.78 | MAPK1 (0.46) | PIK3CAMAPK8MAPK9MAPK10MAPK1 | |
| SCHEMBL19516158 | 0.78 | ABL1 (0.56) | ABL1NPC1RAB9AGSK3ACDK9 | |
| SCHEMBL30006343 | 0.78 | ABL1 (0.56) | ABL1NPC1RAB9AGSK3ACDK9 | |
| SCHEMBL2553716 | 0.77 | PIK3CA (0.52) | PIK3CAMAPK8MAPK9MAPK10 | |
| SCHEMBL2553789 | 0.76 | PIK3CA (0.46) | ABL1PIK3CAMAPK8MAPK9MAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552893-B1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-10-29 | — | — | EP | disclosed |
| 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 | ABL1 14/4885NPC1 577/4885RAB9A 2164/4885 |
“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.