SCHEMBL792582

SCHEMBL792582

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
GSK3B P49841 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
NR1I2 O75469 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL792279 0.91 ARF6 (0.35)
SCHEMBL792623 0.87 LRRK2 (0.37)
SCHEMBL792439 0.87 CES1 (0.34)
SCHEMBL5256403 0.87 OPRM1 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL874916 0.85 PRKCA (0.50) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL925855 0.83 CDK1 (0.46) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL14435330 0.83 PRKCA (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL803645 0.83 PRKCA (0.35) CDK1PRKCAMMP12
SCHEMBL792171 0.81 SCN9A (0.36) PRKCAMMP12NR1I2HSD17B10
SCHEMBL14435944 0.80 SCN9A (0.43) PRKCAMMP12NR1I2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CCNB2 2923/4885CDK1 725/4885CCNB1 1913/4885

“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.