SCHEMBL10147745

SCHEMBL10147745

CCC(C)c1cnc2cc(C(C)C)[nH]c2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
TSHR P16473 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL890085 0.85 TSHR (0.35) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL11400831 0.76 CCNB2 (0.51) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL24323747 0.74 ALDH1A1 (0.42) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL30588641 0.74 ALDH1A1 (0.42) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL26126507 0.74 IKBKB (0.33) IKBKBCHUKTSHRCCNB2CDK1
SCHEMBL10147095 0.72 BRD4 (0.35) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL26124614 0.71 TSHR (0.35) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL12938133 0.70 TSHR (0.36) TSHR
SCHEMBL12437101 0.69 CCNB2 (0.37) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL25093856 0.69 PARP1 (0.36)

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 IKBKB 396/4885CHUK 320/4885TSHR 4717/4885

“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.