Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 10/20 | 0.41 |
| ▸ | CCR5 | P51681 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2149203 | 1.00 | CYP2C9 (0.44) | CYP2C9TACR3CCR5NPC1RAB9A | |
| SCHEMBL11917806 | 1.00 | CYP2C9 (0.44) | CYP2C9TACR3CCR5NPC1RAB9A | |
| SCHEMBL7957126 | 0.95 | CYP2C9 (0.46) | CYP2C9TACR3CCR5NPC1RAB9A | |
| SCHEMBL2149069 | 0.85 | CYP2C9 (0.36) | CYP2C9TACR3CCR5PDPK1 | |
| SCHEMBL7950390 | 0.83 | CYP2C9 (0.49) | CYP2C9TACR3MAPK1 | |
| SCHEMBL11917813 | 0.83 | CYP2C9 (0.47) | CYP2C9TACR3 | |
| SCHEMBL11917815 | 0.83 | CYP2C9 (0.47) | CYP2C9TACR3CCR5 | |
| SCHEMBL2148933 | 0.83 | CYP2C9 (0.47) | CYP2C9TACR3 | |
| SCHEMBL7954428 | 0.83 | CYP2C9 (0.47) | CYP2C9TACR3 | |
| SCHEMBL7952279 | 0.81 | CYP2C9 (0.54) | CYP2C9TACR3 |
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-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 |
| 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 | CYP2C9 3674/4885TACR3 34/4885CCR5 1131/4885 |
“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.