SCHEMBL4531049

SCHEMBL4531049

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3cccc(C)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.46
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 5/20 0.42
POLB P06746 4/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
GRM1 Q13255 1/20 0.40
ALOX15 P16050 1/20 0.39
MMP13 P45452 1/20 0.39
YTHDC1 Q96MU7 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL4526092 0.92 YTHDC1 (0.45) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL4521275 0.89 ALDH1A3 (0.44) HPGDALDH1A1POLBYTHDC1CNR1
SCHEMBL4505408 0.89 YTHDC1 (0.46) HPGDTSHRALDH1A1CYP1A2CYP3A4
SCHEMBL4520999 0.89 NPC1 (0.44) ALDH1A1YTHDC1HIF1AADORA2AADORA1
SCHEMBL4511448 0.88 HSD17B10 (0.47) TSHRALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4521578 0.88 TP53 (0.42) MAPTTP53YTHDC1MEN1KMT2A
SCHEMBL4517002 0.87 YTHDC1 (0.48) YTHDC1NPC1
SCHEMBL4509737 0.85 CNR1 (0.38) HPGDTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL4520072 0.84 MAT2A (0.38) HPGDTSHRPOLBLMNAHTT
SCHEMBL4525433 0.83 POLB (0.37) HPGDTSHRPOLBLMNAHTT

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 HPGD 621/4885TSHR 915/4885ALDH1A1 897/4885

“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.