SCHEMBL4517002

SCHEMBL4517002

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cccc(C#N)c3)nc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 3/20 0.48
CLPP Q16740 1/20 0.42
NPC1 O15118 1/20 0.42
MAT2A P31153 2/20 0.41
CDK1 P06493 5/20 0.40
PRKCA P17252 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TDP2 O95551 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
HSD17B13 Q7Z5P4 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
SCHEMBL4526092 0.89 YTHDC1 (0.45) YTHDC1NPC1CDK1PRKCA
SCHEMBL4531049 0.87 HPGD (0.46) YTHDC1NPC1
SCHEMBL4521275 0.86 ALDH1A3 (0.44) YTHDC1MAT2ACDK1
SCHEMBL4505408 0.86 YTHDC1 (0.46) YTHDC1NPC1
SCHEMBL4520999 0.85 NPC1 (0.44) YTHDC1NPC1RXFP1
SCHEMBL4511448 0.84 HSD17B10 (0.47) YTHDC1RXFP1
SCHEMBL4521578 0.84 TP53 (0.42) YTHDC1MAT2ACDK1PRKCA
SCHEMBL4509737 0.82 CNR1 (0.38) YTHDC1NPC1MAT2ARXFP1
SCHEMBL4520072 0.81 MAT2A (0.38) YTHDC1NPC1MAT2ARXFP1
SCHEMBL4525433 0.80 POLB (0.37) YTHDC1NPC1MAT2ACDK1PRKCA

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 YTHDC1 4699/4885CLPP 4798/4885NPC1 631/4885

“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.