SCHEMBL25019162

SCHEMBL25019162

CC(C)c1cn(C2CC2)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.39
NLRP3 Q96P20 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL24908097 0.92 LRRK2 (0.40) LRRK2NLRP3HSP90AA1HSP90AB1
SCHEMBL24908099 0.89 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL21238766 0.79 DRD2 (0.35) LRRK2NLRP3HSP90AA1HSP90AB1CHRNB2
SCHEMBL20908039 0.78 CYP11B1 (0.39) NLRP3HSP90AA1HSP90AB1CYP11B1CYP11B2
SCHEMBL24923652 0.73 HSP90AA1 (0.37) LRRK2HSP90AA1HSP90AB1KDM5B
SCHEMBL22518596 0.71 LRRK2 (0.38) LRRK2
SCHEMBL25018461 0.70 LRRK2 (0.36) LRRK2
SCHEMBL22474446 0.70 LRRK2 (0.43) LRRK2
SCHEMBL17998057 0.70 OGA (0.39) LRRK2HSP90AA1HSP90AB1
SCHEMBL26141130 0.70 AADAT (0.35) LRRK2HSP90AA1HSP90AB1KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B LRRK2 1/4885NLRP3 1658/4885HSP90AA1 1627/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B LRRK2 1/4885NLRP3 1658/4885HSP90AA1 1627/4885

“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.