Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 11/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | WDR5 | P61964 | 2/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL1717589 | 0.92 | TACR3 (0.45) | TACR3CYP2C9TACR2 | |
| SCHEMBL1942029 | 0.86 | TACR3 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1550860 | 0.85 | TACR3 (0.42) | TACR3CYP2C9WDR5 | |
| SCHEMBL1717704 | 0.85 | TACR3 (0.44) | TACR3CYP2C9 | |
| SCHEMBL1942968 | 0.84 | CYP2C9 (0.49) | TACR3CYP2C9 | |
| SCHEMBL2154007 | 0.84 | CYP2C9 (0.41) | TACR3CYP2C9LMNAMAPTTACR2 | |
| SCHEMBL1550220 | 0.81 | TACR2 (0.39) | TACR3TACR2 | |
| SCHEMBL1718129 | 0.81 | TACR3 (0.47) | TACR3CYP2C9TACR2 | |
| SCHEMBL1941970 | 0.81 | CYP2C9 (0.46) | TACR3CYP2C9 | |
| SCHEMBL1366048 | 0.80 | CYP2C9 (0.38) | TACR3CYP2C9TACR2WDR5 |
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 7 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 |
| 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 |
| 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 |
| 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 | TACR3 30/4885CYP2C9 2734/4885LMNA 4214/4885 |
“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.