SCHEMBL4518340

SCHEMBL4518340

Cn1cnc2c(=O)n(-c3ccc(Cl)c(F)c3)c(Cc3ccc(F)cc3F)nc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B2 P19099 1/20 0.37
PDE4B Q07343 5/20 0.37
PDE4D Q08499 4/20 0.37
GRM1 Q13255 1/20 0.37
BRD9 Q9H8M2 1/20 0.36
MAPK14 Q16539 9/20 0.35
TRPA1 O75762 1/20 0.34
PTGER1 P34995 1/20 0.33

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
SCHEMBL4521143 0.94 MAPK1 (0.44) MAPK1NPSR1CYP11B2PDE4BPDE4D
SCHEMBL4518790 0.92 MAPK1 (0.39) MAPK1NPSR1BRD9MAPK14PTGER1
SCHEMBL4519193 0.92 PDE4B (0.39) MAPK1NPSR1CYP11B2PDE4BPDE4D
SCHEMBL4522019 0.91 MAPK14 (0.36) MAPK1NPSR1CYP11B2BRD9MAPK14
SCHEMBL4523638 0.90 GSR (0.41) MAPK1NPSR1BRD9MAPK14PTGER1
SCHEMBL4519384 0.90 HKDC1 (0.39) MAPK1NPSR1MAPK14
SCHEMBL4517370 0.89 GRM1 (0.37) MAPK1NPSR1CYP11B2PDE4BPDE4D
SCHEMBL4510075 0.89 GRM1 (0.37) MAPK1NPSR1CYP11B2PDE4BPDE4D
SCHEMBL4525470 0.88 MAPK1 (0.44) MAPK1NPSR1BRD9MAPK14
SCHEMBL4521828 0.86 MAT2A (0.40) MAPK1NPSR1MAPK14TRPA1

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 MAPK1 1197/4885NPSR1 102/4885CYP11B2 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.