SCHEMBL4520799

SCHEMBL4520799

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cc3cc(F)cc(F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CASP4 P49662 1/20 0.39
MMP14 P50281 1/20 0.39
CTSC P53634 1/20 0.39
BACE1 P56817 1/20 0.39
ADAM17 P78536 1/20 0.39
CTSZ Q9UBR2 1/20 0.39
KLK4 Q9Y5K2 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HKDC1 Q2TB90 2/20 0.38
CDK1 P06493 6/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL4520072 0.93 MAT2A (0.38) CTSVCTSLCTSBCTSHCTSS
SCHEMBL4522496 0.88 CDK1 (0.39) CTSVCTSLCTSBCTSHCTSS
SCHEMBL4524676 0.87 GAA (0.43) SMN1; SMN2HKDC1CDK1TSHRLMNA
SCHEMBL4524598 0.87 RXFP1 (0.40) CTSLSMN1; SMN2HKDC1CDK1LMNA
SCHEMBL4529801 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HKDC1CDK1NPC1RAB9A
SCHEMBL4531589 0.85 HKDC1 (0.39) SMN1; SMN2HKDC1CDK1NPC1RAB9A
SCHEMBL4521974 0.85 SMN1; SMN2 (0.39) CTSVCTSLCTSBCTSHCTSS
SCHEMBL4517305 0.85 MAOB (0.41) SMN1; SMN2HKDC1CDK1MEN1KMT2A
SCHEMBL4531196 0.84 HKDC1 (0.39) SMN1; SMN2HKDC1CDK1NPC1RAB9A
SCHEMBL4521275 0.84 ALDH1A3 (0.44) CDK1HPGDMAT2AALDH1A1

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 CTSV 3256/4885CTSL 4456/4885CTSB 3508/4885

“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.