Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | TACR3 | P29371 | 10/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1550529 | 0.92 | CYP2C9 (0.45) | CYP2C9TACR3RIPK1PDE2AMEN1 | |
| SCHEMBL1551093 | 0.90 | CYP2C9 (0.49) | CYP2C9TACR3RIPK1PDE2A | |
| SCHEMBL1551488 | 0.90 | CYP2C9 (0.49) | CYP2C9TACR3RIPK1PDE2A | |
| SCHEMBL1550957 | 0.89 | CYP2C9 (0.46) | CYP2C9TACR3 | |
| SCHEMBL1550635 | 0.89 | CYP2C9 (0.47) | CYP2C9TACR3RIPK1PDE2APIK3CD | |
| SCHEMBL1941970 | 0.89 | CYP2C9 (0.46) | CYP2C9TACR3RIPK1PDE2AALDH1A1 | |
| SCHEMBL1943161 | 0.88 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1MEN1ALDH1A1 | |
| SCHEMBL1718442 | 0.86 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1PDE2A | |
| SCHEMBL1942707 | 0.86 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1PDE2APIK3CD | |
| SCHEMBL1717707 | 0.85 | CYP2C9 (0.51) | CYP2C9TACR3RIPK1PDE2APIK3CD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-02 | — | — | US | claimed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | claimed |
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| EP-2313391-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-12-26 | — | — | EP | disclosed |
| US-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-02 | — | — | US | disclosed |
| US-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-02 | — | — | US | disclosed |
| US-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2011-06-02 | — | — | US | disclosed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | 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-20110130407-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | CYP2C9 2734/4885TACR3 30/4885RIPK1 3286/4885 |
“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.