Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 2/20 | 0.38 |
| ▸ | BRAF | P15056 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL23525837 | 1.00 | LRRK2 (0.46) | LRRK2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL23024940 | 0.84 | LRRK2 (0.46) | LRRK2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL23025196 | 0.84 | LRRK2 (0.46) | LRRK2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL20906087 | 0.79 | LRRK2 (0.47) | LRRK2 | |
| SCHEMBL23525833 | 0.79 | LRRK2 (0.47) | LRRK2 | |
| SCHEMBL23525831 | 0.79 | LRRK2 (0.47) | LRRK2 | |
| SCHEMBL31200530 | 0.77 | LRRK2 (0.43) | LRRK2PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL21797145 | 0.77 | KMO (0.44) | PIK3CDPIK3CA | |
| SCHEMBL28607925 | 0.77 | KMO (0.44) | PIK3CDPIK3CA | |
| SCHEMBL21796865 | 0.77 | PIK3CD (0.44) | LRRK2PIK3CDPIK3CAPIK3CBPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| EP-3694331-B1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2022-11-16 | — | — | EP | disclosed |
| US-11174248-B2 | Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2021-11-16 | — | — | US | disclosed |
| US-11174248-B2 | Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2021-11-16 | — | — | US | disclosed |
| US-20210188818-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2021-06-24 | — | — | US | disclosed |
| US-20210188818-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2021-06-24 | — | — | 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 (2 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-11174248-B2 | Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof | LRRK2, BRSK2, CLK2 | LRRK2 1/4885PIK3CD 966/4885PIK3CA 558/4885 |
| US-20210188818-A1 | INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | LRRK2, BRSK2, CLK2 | LRRK2 1/4885PIK3CD 966/4885PIK3CA 558/4885 |
“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.