SCHEMBL4531196

SCHEMBL4531196

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3c(F)cccc3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CDK1 P06493 6/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 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
ADORA2B P29275 1/20 0.38
TSHR P16473 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4515108 0.92 CNR1 (0.38) CDK1ADORA2AADORA1PDE4APDE4B
SCHEMBL4522496 0.92 CDK1 (0.39) HKDC1SMN1; SMN2CDK1ADORA2APDE4A
SCHEMBL4522199 0.91 CDK1 (0.38) HKDC1SMN1; SMN2CDK1PDE4APDE4B
SCHEMBL4520110 0.89 SMN1; SMN2 (0.40) HKDC1SMN1; SMN2CDK1ADORA2AADORA1
SCHEMBL4518958 0.88 SMN1; SMN2 (0.43) HKDC1SMN1; SMN2CDK1PDE4APDE4B
SCHEMBL4530785 0.85 MAT2A (0.38) CDK1ADORA2APDE4APDE4BPDE4C
SCHEMBL4531589 0.84 HKDC1 (0.39) HKDC1SMN1; SMN2CDK1PDE4APDE4B
SCHEMBL4521974 0.84 SMN1; SMN2 (0.39) HKDC1SMN1; SMN2CDK1PDE4APDE4B
SCHEMBL4529801 0.84 SMN1; SMN2 (0.39) HKDC1SMN1; SMN2CDK1PDE4APDE4B
SCHEMBL4520799 0.84 CTSV (0.39) HKDC1SMN1; SMN2CDK1PDE4APDE4B

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 HKDC1 2603/4885SMN1; SMN2 3506/4885CDK1 1523/4885

“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.