SCHEMBL4522019

SCHEMBL4522019

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.36
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 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
SCHEMBL4519384 0.93 HKDC1 (0.39) MAPK14MAPK1NPSR1PCSK9BRD4
SCHEMBL4525470 0.91 MAPK1 (0.44) MAPK14MAPK1NPSR1LMNATP53
SCHEMBL4518340 0.91 MAPK1 (0.40) MAPK14MAPK1NPSR1CYP11B2BRD9
SCHEMBL4520689 0.91 MAOB (0.37) MAPK14MAPK1NPSR1LMNATP53
SCHEMBL4523638 0.91 GSR (0.41) MAPK14MAPK1NPSR1BRD9SMN1; SMN2
SCHEMBL4521219 0.88 MALT1 (0.35) MAPK14MALT1CYP11B2BRD9SMN1; SMN2
SCHEMBL4518790 0.87 MAPK1 (0.39) MAPK14MAPK1NPSR1TP53BRD9
SCHEMBL4521828 0.87 MAT2A (0.40) MAPK14MAPK1NPSR1BRD4SMN1; SMN2
SCHEMBL4512027 0.86 MAPK14 (0.39) MAPK14BRD4
SCHEMBL4772515 0.86 KMT2A (0.38) MAPK14MAPK1NPSR1LMNATP53

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 MAPK14 3169/4885MAPK1 1197/4885NPSR1 102/4885

“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.