SCHEMBL4510075

SCHEMBL4510075

Cn1cnc2c(=O)n(-c3ccc(Cl)c(F)c3)c(Cc3c(F)cc(F)cc3F)nc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
CYP11B2 P19099 1/20 0.35
PDE4B Q07343 10/20 0.35
PDE4D Q08499 6/20 0.35
TRPA1 O75762 1/20 0.35
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
POLB P06746 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
SCHEMBL4514651 0.92 TP53 (0.37) GRM1BRD9PDE4BPDE4DTRPA1
SCHEMBL4521219 0.91 MALT1 (0.35) BRD9CYP11B2TRPA1MAPK14POLB
SCHEMBL4515398 0.90 GRM1 (0.37) GRM1BRD9CYP11B2PDE4BPDE4D
SCHEMBL4520372 0.90 GSR (0.37) BRD9MAPK14NPSR1YTHDC1POLB
SCHEMBL4518340 0.89 MAPK1 (0.40) GRM1BRD9CYP11B2PDE4BPDE4D
SCHEMBL4521285 0.89 SMN1; SMN2 (0.39) GRM1MAPK14POLB
SCHEMBL4521143 0.87 MAPK1 (0.44) GRM1BRD9CYP11B2PDE4BPDE4D
SCHEMBL4517370 0.86 GRM1 (0.37) GRM1BRD9CYP11B2PDE4BPDE4D
SCHEMBL4519193 0.85 PDE4B (0.39) GRM1BRD9CYP11B2PDE4BPDE4D
SCHEMBL4511040 0.84 LMNA (0.36) GRM1BRD9MAPK14MAPK1NPSR1

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 GRM1 73/4885BRD9 1135/4885CYP11B2 916/4885

“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.