SCHEMBL10147095

SCHEMBL10147095

CCc1cc2ncc(C(C)C)nc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 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
SCHEMBL25093856 0.80 PARP1 (0.36)
SCHEMBL12438208 0.78 BRD4 (0.38) BRD4CCNB2CDK1CCNB1CDK5
SCHEMBL13155076 0.78 CCNB2 (0.51) BRD4CCNB2CDK1CCNB1CDK5
SCHEMBL890085 0.78 TSHR (0.35) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL12437101 0.78 CCNB2 (0.37) BRD4CCNB2CDK1CCNB1CDK5
SCHEMBL13122872 0.74 CCNB2 (0.32) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL10147094 0.73 BRD4 (0.34) BRD4
SCHEMBL10147745 0.72 IKBKB (0.32) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL25093853 0.69 KDM5B (0.31)
SCHEMBL10147267 0.69 SCN10A (0.33)

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 BRD4 2816/4885CCNB2 168/4885CDK1 501/4885

“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.