Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 12/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL2148836 | 0.90 | TACR3 (0.46) | TACR3RIPK1CYP2C9SMYD3 | |
| SCHEMBL24075461 | 0.90 | TACR3 (0.46) | TACR3RIPK1CYP2C9SMYD3 | |
| SCHEMBL7951091 | 0.84 | TACR3 (0.42) | TACR3CYP2C9KCNK3 | |
| SCHEMBL7946365 | 0.83 | TACR3 (0.45) | TACR3RIPK1CYP2C9SMYD3 | |
| SCHEMBL7948901 | 0.82 | CYP2C9 (0.50) | TACR3RIPK1CYP2C9 | |
| SCHEMBL7949103 | 0.81 | TACR3 (0.45) | TACR3RIPK1CYP2C9 | |
| SCHEMBL7954512 | 0.80 | TACR3 (0.39) | TACR3CYP2C9KCNK3MEN1KMT2A | |
| SCHEMBL7954227 | 0.80 | PDE2A (0.42) | TACR3CYP2C9 | |
| SCHEMBL2169904 | 0.79 | TACR3 (0.48) | TACR3RIPK1CYP2C9MEN1KMT2A | |
| SCHEMBL7942563 | 0.79 | CYP2C9 (0.47) | TACR3CYP2C9SMYD3MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | US | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | US | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | 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-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | TACR3 34/4885RIPK1 2526/4885CYP2C9 3674/4885 |
“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.