Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.36 |
| ▸ | WDR5 | P61964 | 8/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1364113 | 0.97 | S1PR3 (0.37) | TACR3CYP2C9S1PR3WDR5 | |
| SCHEMBL1365007 | 0.92 | CYP2C9 (0.46) | TACR3CYP2C9S1PR3WDR5 | |
| SCHEMBL1364329 | 0.90 | S1PR3 (0.38) | TACR3CYP2C9S1PR3WDR5 | |
| SCHEMBL1366190 | 0.90 | CYP2C9 (0.43) | TACR3CYP2C9S1PR3WDR5 | |
| SCHEMBL1364240 | 0.90 | S1PR3 (0.42) | CYP2C9S1PR3WDR5 | |
| SCHEMBL12151111 | 0.88 | S1PR3 (0.36) | S1PR3 | |
| SCHEMBL12151037 | 0.82 | S1PR3 (0.37) | TACR3CYP2C9S1PR3 | |
| SCHEMBL1367105 | 0.79 | CYP1B1 (0.39) | S1PR3 | |
| SCHEMBL7942492 | 0.78 | TACR3 (0.43) | TACR3CYP2C9 | |
| SCHEMBL1364957 | 0.78 | S1PR3 (0.41) | S1PR3 |
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-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | claimed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | disclosed |
| US-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-11-24 | — | — | US | disclosed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | 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-20110288120-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNK3, KCNQ3, KCNN3 | TACR3 36/4885CYP2C9 2420/4885S1PR3 559/4885 |
“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.