SCHEMBL23344762

SCHEMBL23344762

CC1CN(c2ncccc2CC(C)(C)C)CCO1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.39
CDC7 O00311 1/20 0.38
FFAR2 O15552 7/20 0.38
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
MTOR P42345 1/20 0.37
STK3 Q13188 1/20 0.37
STK26 Q9P289 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL23344681 0.85 FFAR2 (0.40) LRRK2FFAR2
SCHEMBL23344656 0.84 AR (0.42) FFAR2
SCHEMBL30417107 0.79 FFAR2 (0.45) LRRK2CDC7FFAR2STK3STK26
SCHEMBL31718061 0.78 CHI3L1 (0.49) LRRK2CDC7FFAR2
SCHEMBL23344647 0.77 CYP1A2 (0.45) LRRK2PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL14436539 0.77 CYP1A2 (0.45)
SCHEMBL23344783 0.76 CYP1A2 (0.48)
SCHEMBL22717519 0.73 KMT2A (0.62) CDC7FFAR2
SCHEMBL29574339 0.73 KMT2A (0.62) CDC7FFAR2
SCHEMBL23344776 0.72 MTOR (0.44) PIK3CAPIK3CDMTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A LRRK2 1681/4885CDC7 2537/4885FFAR2 4053/4885

“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.