Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TACR3 | P29371 | 12/20 | 0.51 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1942021 | 0.91 | CYP2C9 (0.55) | CYP2C9TACR3RIPK1SMYD3TOP2A | |
| SCHEMBL1717334 | 0.89 | CYP2C9 (0.53) | CYP2C9TACR3RIPK1SMYD3PDE2A | |
| SCHEMBL1943161 | 0.88 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1SMYD3TOP2A | |
| SCHEMBL1717601 | 0.87 | CYP2C9 (0.58) | CYP2C9TACR3RIPK1SMYD3TOP2A | |
| SCHEMBL1718430 | 0.87 | CYP2C9 (0.44) | CYP2C9TACR3RIPK1SMYD3ALDH1A1 | |
| SCHEMBL1717707 | 0.86 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1PDE2A | |
| SCHEMBL1717328 | 0.86 | CYP2C9 (0.53) | CYP2C9TACR3RIPK1 | |
| SCHEMBL1717308 | 0.86 | CYP2C9 (0.53) | CYP2C9TACR3RIPK1 | |
| SCHEMBL1718442 | 0.86 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1PDE2A | |
| SCHEMBL1717544 | 0.85 | CYP2C9 (0.53) | CYP2C9TACR3RIPK1SMYD3MEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | claimed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| US-8173639-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-05-08 | — | — | US | disclosed |
| EP-2150534-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-01-11 | — | — | EP | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | disclosed |
| US-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-06-04 | — | — | US | 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-20090143402-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | CYP2C9 2755/4885TACR3 30/4885RIPK1 3087/4885 |
“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.