SCHEMBL4528475

SCHEMBL4528475

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)c3cc(F)cc(F)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CASP4 P49662 1/20 0.37
MMP14 P50281 1/20 0.37
CTSC P53634 1/20 0.37
BACE1 P56817 1/20 0.37
ADAM17 P78536 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
KLK4 Q9Y5K2 1/20 0.37
CNR1 P21554 5/20 0.36
SRC P12931 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AOC3 Q16853 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
SCHEMBL4525568 0.91 MAT2A (0.38) MAT2ACNR1SRCALDH1A1GSR
SCHEMBL4516830 0.87 PDE4A (0.42) MAT2ACNR1SRCTSHRKDM4E
SCHEMBL4516843 0.85 SRC (0.41) CNR1SRCTSHRKDM4EALDH1A1
SCHEMBL4519920 0.85 MAT2A (0.38) MAT2ACNR1GSRHIF1ANPC1
SCHEMBL4530645 0.84 CNR1 (0.38) MAT2ACNR1SRCTSHRKDM4E
SCHEMBL4522660 0.84 CDK1 (0.39) CNR1
SCHEMBL4514724 0.82 CNR1 (0.37) MAT2ACNR1SRCTSHRKDM4E
SCHEMBL4525582 0.82 CDK1 (0.38) MAT2ACTSVCTSLCTSBCTSH
SCHEMBL4520072 0.81 MAT2A (0.38) MAT2ACTSVCTSLCTSBCTSH
SCHEMBL4517600 0.80 CNR1 (0.38) MAT2ACNR1TSHRHIF1ANPC1

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 3846/4885CTSV 3256/4885CTSL 4456/4885

“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.