SCHEMBL4519920

SCHEMBL4519920

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(F)c3cccc(F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.38
ALDH1A2 O94788 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CDK1 P06493 7/20 0.37
CNR1 P21554 3/20 0.36
NPC1 O15118 1/20 0.35
F9 P00740 2/20 0.34
GSR P00390 1/20 0.34
YTHDC1 Q96MU7 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL4525568 0.92 MAT2A (0.38) MAT2AALDH1A2ALDH1A3CDK1CNR1
SCHEMBL4514724 0.89 CNR1 (0.37) MAT2ACDK1CNR1NPC1GSR
SCHEMBL4517600 0.87 CNR1 (0.38) MAT2ACDK1CNR1NPC1YTHDC1
SCHEMBL4528475 0.85 MAT2A (0.38) MAT2ACNR1NPC1GSRYTHDC1
SCHEMBL4530645 0.83 CNR1 (0.38) MAT2ACDK1CNR1NPC1YTHDC1
SCHEMBL4516830 0.81 PDE4A (0.42) MAT2ACNR1HIF1APDE4APDE4B
SCHEMBL4522660 0.81 CDK1 (0.39) CDK1CNR1
SCHEMBL4516843 0.80 SRC (0.41) CDK1CNR1NPC1HIF1APDE4A
SCHEMBL4521275 0.79 ALDH1A3 (0.44) MAT2AALDH1A2ALDH1A3CDK1CNR1
SCHEMBL4510095 0.78 CDK1 (0.39) MAT2AALDH1A2ALDH1A3CDK1CNR1

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 MAT2A 3846/4885ALDH1A2 1308/4885ALDH1A3 1238/4885

“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.