SCHEMBL4521143

SCHEMBL4521143

Cn1cnc2c(=O)n(-c3ccc(Cl)c(F)c3)c(Cc3ccc(F)cc3Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
CYP11B2 P19099 1/20 0.37
GRM1 Q13255 1/20 0.37
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK14 Q16539 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4D Q08499 3/20 0.35
TRPA1 O75762 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
GSR P00390 1/20 0.34
KMT2A Q03164 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
SCHEMBL4525470 0.94 MAPK1 (0.44) MAPK1NPSR1LMNATP53MAPT
SCHEMBL4518340 0.94 MAPK1 (0.40) MAPK1NPSR1CYP11B2GRM1MAPK14
SCHEMBL4519094 0.92 MAPK1 (0.47) MAPK1NPSR1LMNATP53MAPT
SCHEMBL4511396 0.91 MAPK1 (0.43) MAPK1NPSR1LMNATP53MAOB
SCHEMBL4521884 0.90 MAPK1 (0.45) MAPK1NPSR1LMNATP53MAPT
SCHEMBL4517370 0.89 GRM1 (0.37) MAPK1NPSR1CYP11B2GRM1MAPK14
SCHEMBL4519193 0.88 PDE4B (0.39) MAPK1NPSR1CYP11B2GRM1MAOB
SCHEMBL4510075 0.87 GRM1 (0.37) MAPK1NPSR1CYP11B2GRM1MAPK14
SCHEMBL4772515 0.87 KMT2A (0.38) MAPK1NPSR1LMNATP53MAPT
SCHEMBL4518790 0.87 MAPK1 (0.39) MAPK1NPSR1TP53MAPK14BRD9

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 3 patents. 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
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO 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 102/4885LMNA 4529/4885

“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.