SCHEMBL4530159

SCHEMBL4530159

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccc(Cl)cc3Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
USP7 Q93009 1/20 0.40
TP53 P04637 2/20 0.39
ALOX15 P16050 1/20 0.39
GSR P00390 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HKDC1 Q2TB90 2/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL4527623 0.94 MAPK1 (0.40) MAT2AKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4507591 0.92 MAT2A (0.43) MAT2AKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4510103 0.89 KMT2A (0.44) MAT2AKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4521476 0.89 GSR (0.39) MAT2ASMN1; SMN2TSHRHTTGSR
SCHEMBL4531050 0.88 SMN1; SMN2 (0.42) MAT2AKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4522510 0.87 GSR (0.40) MAT2ASMN1; SMN2TSHRHTTGSR
SCHEMBL4524676 0.86 GAA (0.43) MAT2AKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4529801 0.86 SMN1; SMN2 (0.39) MAT2AKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4531589 0.86 HKDC1 (0.39) MAT2AKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4522632 0.85 HKDC1 (0.39) MAT2AKMT2ASMN1; SMN2CYP1A2CYP2C9

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 MAT2A 3846/4885KMT2A 4346/4885SMN1; SMN2 3506/4885

“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.