SCHEMBL4507591

SCHEMBL4507591

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccc(Cl)cc3F)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
KMT2A Q03164 2/20 0.37
HKDC1 Q2TB90 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK1 P06493 4/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
TRPA1 O75762 1/20 0.35
GSR P00390 1/20 0.35
YTHDC1 Q96MU7 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4521476 0.94 GSR (0.39) MAT2AHKDC1SMN1; SMN2CDK1NPC1
SCHEMBL4530159 0.92 MAT2A (0.43) MAT2AKMT2AHKDC1SMN1; SMN2NPC1
SCHEMBL4531589 0.92 HKDC1 (0.39) MAT2AKMT2AHKDC1SMN1; SMN2CDK1
SCHEMBL4522510 0.89 GSR (0.40) MAT2AHKDC1SMN1; SMN2CDK1NPC1
SCHEMBL4521828 0.89 MAT2A (0.40) MAT2AKMT2AHKDC1SMN1; SMN2TSHR
SCHEMBL4527623 0.88 MAPK1 (0.40) MAT2AKMT2AHKDC1SMN1; SMN2CDK1
SCHEMBL4521974 0.88 SMN1; SMN2 (0.39) MAT2AKMT2AHKDC1SMN1; SMN2CDK1
SCHEMBL4529801 0.88 SMN1; SMN2 (0.39) MAT2AKMT2AHKDC1SMN1; SMN2CDK1
SCHEMBL4772467 0.86 MAT2A (0.40) MAT2AKMT2ASMN1; SMN2NPC1HPGD
SCHEMBL4521820 0.86 PDE4A (0.40) KMT2AHKDC1SMN1; SMN2NPC1HPGD

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 4346/4885HKDC1 2603/4885

“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.