SCHEMBL12437101

SCHEMBL12437101

Cc1cc2ncc(C(C)C)nc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
BRD4 O60885 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL890085 0.82 TSHR (0.35) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL13122872 0.81 CCNB2 (0.32) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL10147095 0.78 BRD4 (0.35) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL13154922 0.77 CCNB2 (0.57) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL25093856 0.74 PARP1 (0.36)
SCHEMBL31526668 0.74 CDK5 (0.44) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL21885846 0.74 ALDH1A1 (0.50) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL17090692 0.71 ADORA2A (0.38) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL18238553 0.70 RPS6KA3 (0.38) CDK1CDK5
SCHEMBL12965805 0.70 TSHR (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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 CCNB2 189/4885CDK1 484/4885CCNB1 25/4885

“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.