SCHEMBL13006149

SCHEMBL13006149

Cc1n[nH]c2ccnc(Nc3ccc(Cn4cnnc4)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.42
EGFR P00533 2/20 0.36
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK8 P45983 1/20 0.32
GRM4 Q14833 8/20 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
SCHEMBL3775217 0.89 CYP11B1 (0.48) LRRK2CYP19A1CYP11B1CYP11B2
SCHEMBL3770171 0.83 PLK4 (0.46) LRRK2EGFR
SCHEMBL3775083 0.83 AXL (0.46) LRRK2
SCHEMBL3773018 0.82 CYP1A2 (0.42) LRRK2EGFRCYP19A1GRM4
SCHEMBL3775370 0.80 LRRK2 (0.63) LRRK2GRM4
SCHEMBL3775329 0.80 LRRK2 (0.61) LRRK2EGFRGRM4
SCHEMBL3771247 0.80 LRRK2 (0.43) LRRK2EGFRMAPK8GRM4
SCHEMBL3766347 0.78 CDK1 (0.43) LRRK2EGFRGRM4
SCHEMBL3764047 0.78 CYP11B1 (0.48) EGFRCYP19A1CYP11B1CYP11B2GRM4
SCHEMBL3763899 0.77 GRM4 (0.51) LRRK2EGFRGRM4

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-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885EGFR 102/4885CYP19A1 936/4885

“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.