SCHEMBL4097727

SCHEMBL4097727

CSc1nc2c(ncn2C2CC2)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.45
CTSL P07711 1/20 0.39
FLT3 P36888 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRM1 Q13255 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNH2 Q12809 1/20 0.37
PDGFRA P16234 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL5437956 0.82 ATM (0.42) SMN1; SMN2GRM1MEN1TSHRKMT2A
SCHEMBL4097235 0.82 SMN1; SMN2 (0.48) CNR1CTSLFLT3SMN1; SMN2GRM1
SCHEMBL5430184 0.81 CNR1 (0.38) CNR1CTSLFLT3KCNH2PDGFRA
SCHEMBL5429576 0.81 MAPT (0.49) SMN1; SMN2MEN1TSHRKMT2AALDH1A1
SCHEMBL4102377 0.81 CNR1 (0.42) CNR1CTSLFLT3SMN1; SMN2GRM1
SCHEMBL5438803 0.81 KMT2A (0.40) CNR1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5431700 0.80 ALDH1A2 (0.43) CNR1CTSLSMN1; SMN2TSHRLMNA
SCHEMBL5446895 0.80 ALDH1A2 (0.49) CNR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5432866 0.79 CNR1 (0.39) CNR1CTSLFLT3KCNH2CCNE1
SCHEMBL5425996 0.79 ALDH1A2 (0.45) CNR1CTSLSMN1; SMN2TSHRALDH1A1

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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 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-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 CNR1 30/4885CTSL 4668/4885FLT3 4115/4885

“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.