SCHEMBL4525878

SCHEMBL4525878

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3c(F)ccc(F)c3Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
HKDC1 Q2TB90 2/20 0.37
MAT2A P31153 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 3/20 0.33
GSR P00390 1/20 0.33
MAPK14 Q16539 2/20 0.33
GRM1 Q13255 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 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
SCHEMBL4524609 0.95 DRD1 (0.36) MAOAMAOBLMNAGSRMAPK14
SCHEMBL4520401 0.91 BRD9 (0.35) MAPK14GRM1CYP1A2YTHDC1HSD17B10
SCHEMBL4511040 0.90 LMNA (0.36) SMN1; SMN2HKDC1MAT2AMAOAMAOB
SCHEMBL4526099 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HKDC1MAT2AMAOAMAOB
SCHEMBL4506938 0.87 HKDC1 (0.38) SMN1; SMN2HKDC1MAOAMAOBLMNA
SCHEMBL4515658 0.86 MAPT (0.39) MAOAMAOBLMNAMAPK14GRM1
SCHEMBL4513062 0.86 DRD1 (0.36) MAOAMAOBLMNAGSRMAPK14
SCHEMBL4511413 0.86 HKDC1 (0.39) SMN1; SMN2HKDC1MAOAMAOBLMNA
SCHEMBL4521285 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HKDC1MAT2AMAOAMAOB
SCHEMBL4520372 0.85 GSR (0.37) SMN1; SMN2HKDC1MAT2AMAOAMAOB

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 SMN1; SMN2 3506/4885HKDC1 2603/4885MAT2A 3846/4885

“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.