SCHEMBL965361

SCHEMBL965361

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
FFAR4 Q5NUL3 1/20 0.38
EPAS1 Q99814 1/20 0.38
CDC7 O00311 1/20 0.36
BRPF1 P55201 1/20 0.35
ALB P02768 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PDCD1 Q15116 1/20 0.33

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
SCHEMBL962694 0.88 ALDH1A1 (0.43) CCNCCDK8FFAR4CDC7ALB
SCHEMBL962692 0.88 ALDH1A1 (0.43) CCNCCDK8FFAR4CDC7ALB
SCHEMBL962733 0.88 CCNC (0.43) CCNCCDK8MAPTALDH1A1TDP1
SCHEMBL5127593 0.87 CDC7 (0.37) FFAR4CDC7BRPF1ALBALDH1A1
SCHEMBL966081 0.86 CCNC (0.42) CCNCCDK8MAPTALDH1A1TDP1
SCHEMBL963203 0.83 PHGDH (0.41) CCNCCDK8MAPTALDH1A1GAA
SCHEMBL962555 0.83 CCNC (0.41) CCNCCDK8MAPTALDH1A1GAA
SCHEMBL5127585 0.83 CDC7 (0.35) FFAR4CDC7BRPF1ALBIRAK4
SCHEMBL5127599 0.83 CDC7 (0.35) FFAR4CDC7BRPF1ALBIRAK4
SCHEMBL963644 0.81 CDC7 (0.43) FFAR4CDC7BRPF1ALBIRAK4

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 2477/4885FFAR4 9/4885

“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.