SCHEMBL23219923

SCHEMBL23219923

Cc1cc(I)nc(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.42
CHRM3 P20309 8/20 0.35
PDE4A P27815 6/20 0.35
PDE4B Q07343 6/20 0.35
PDE4C Q08493 6/20 0.35
PDE4D Q08499 6/20 0.35
CHRM4 P08173 1/20 0.33
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
LDHA P00338 1/20 0.32
LRRK2 Q5S007 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL21797098 0.84 CHRM3 (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL13033012 0.84 PDE10A (0.50) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL21211777 0.77 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL24500132 0.77 PDE10A (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL15948039 0.76 CHRM3 (0.38) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL18069346 0.76 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL28979288 0.76 HTT (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL28301853 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL3208618 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL5226624 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C

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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 PDE10A 2164/4885CHRM3 3349/4885PDE4A 1900/4885

“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.