SCHEMBL4521828

SCHEMBL4521828

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccc(Cl)cc3F)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.40
KMT2A Q03164 3/20 0.38
MAOB P27338 2/20 0.37
ADORA2A P29274 1/20 0.37
TRPA1 O75762 1/20 0.37
GSR P00390 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HKDC1 Q2TB90 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 2/20 0.35
MAOA P21397 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MET P08581 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
SCHEMBL4520494 0.96 MAOB (0.38) MAT2AKMT2AMAOBADORA2ATRPA1
SCHEMBL4523638 0.94 GSR (0.41) MAT2AKMT2AGSRMAPK1NPSR1
SCHEMBL4510103 0.92 KMT2A (0.44) MAT2AKMT2AGSRMAPK1NPSR1
SCHEMBL4520689 0.92 MAOB (0.37) MAT2AKMT2AMAOBADORA2ATRPA1
SCHEMBL4519384 0.92 HKDC1 (0.39) MAOBMAPK1NPSR1HKDC1SMN1; SMN2
SCHEMBL4519193 0.90 PDE4B (0.39) KMT2AMAOBADORA2ATRPA1MAPK1
SCHEMBL4528678 0.89 JAK2 (0.37) MAT2AKMT2AMAOBADORA2ATRPA1
SCHEMBL4507591 0.89 MAT2A (0.43) MAT2AKMT2AMAOBADORA2ATRPA1
SCHEMBL4525444 0.89 GSR (0.41) MAT2AMAOBGSRMAPK1NPSR1
SCHEMBL4517182 0.88 TP53 (0.37) KMT2AMAOBADORA2ATRPA1MAPK1

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 MAT2A 3846/4885KMT2A 4346/4885MAOB 2706/4885

“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.