SCHEMBL4531050

SCHEMBL4531050

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3ccccc3Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HKDC1 Q2TB90 2/20 0.42
TP53 P04637 1/20 0.39
USP7 Q93009 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR1 P21554 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 3/20 0.36
MAPK1 P28482 3/20 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
SCHEMBL4522632 0.92 HKDC1 (0.39) SMN1; SMN2HKDC1TP53USP7PDE4A
SCHEMBL4532511 0.92 CNR1 (0.45) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL4527623 0.90 MAPK1 (0.40) SMN1; SMN2HKDC1TP53USP7ALDH1A1
SCHEMBL4518958 0.90 SMN1; SMN2 (0.43) SMN1; SMN2HKDC1TP53PDE4APDE4B
SCHEMBL4530159 0.88 MAT2A (0.43) SMN1; SMN2HKDC1TP53USP7ALDH1A1
SCHEMBL4526238 0.87 YTHDC1 (0.43) SMN1; SMN2HKDC1PDE4APDE4BPDE4C
SCHEMBL4521820 0.86 PDE4A (0.40) SMN1; SMN2HKDC1PDE4APDE4BPDE4C
SCHEMBL4520110 0.86 SMN1; SMN2 (0.40) SMN1; SMN2HKDC1PDE4APDE4BPDE4C
SCHEMBL4778102 0.85 MAPK1 (0.36) SMN1; SMN2HKDC1TP53USP7PDE4A
SCHEMBL4507591 0.84 MAT2A (0.43) SMN1; SMN2HKDC1USP7CNR1ALDH1A1

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 SMN1; SMN2 3506/4885HKDC1 2603/4885TP53 4385/4885

“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.