SCHEMBL963446

SCHEMBL963446

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(Br)cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
ENPP3 O14638 3/20 0.37
ENPP1 P22413 2/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNKSR1 Q969H4 1/20 0.33
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR4 P22455 2/20 0.32

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
SCHEMBL966303 0.90 CCNC (0.38) CCNCCDK8NPC1RAB9ACNKSR1
SCHEMBL967738 0.89 ALDH1A1 (0.41) CCNCCDK8NPC1RAB9ATTR
SCHEMBL964973 0.89 XPO1 (0.38) CCNCCDK8NPC1RAB9ATTR
SCHEMBL965036 0.87 ALDH1A1 (0.44) CCNCCDK8ENPP3ENPP1NPC1
SCHEMBL965034 0.87 ALDH1A1 (0.44) CCNCCDK8ENPP3ENPP1NPC1
SCHEMBL962983 0.86 POLB (0.42) CCNCCDK8DPP4ALDH1A1HPGD
SCHEMBL962300 0.83 LMNA (0.38) CCNCCDK8ENPP3NPC1RAB9A
SCHEMBL964262 0.81 ENPP3 (0.38) ENPP3ENPP1FGFR1FGFR4
SCHEMBL964264 0.81 ENPP3 (0.38) ENPP3ENPP1FGFR1FGFR4
SCHEMBL963124 0.81 ENPP3 (0.39) ENPP3ENPP1FGFR1FGFR4ALDH1A1

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CCNC 3591/4885CDK8 2477/4885ENPP3 2208/4885

“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.