SCHEMBL890085

SCHEMBL890085

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
KDM5B Q9UGL1 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DHFR P00374 1/20 0.31
SLC2A1 P11166 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 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
SCHEMBL10147745 0.85 IKBKB (0.32) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL11400831 0.82 CCNB2 (0.51) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL12437101 0.82 CCNB2 (0.37) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL24323747 0.81 ALDH1A1 (0.42) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL30588641 0.81 ALDH1A1 (0.42) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL10147095 0.78 BRD4 (0.35) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL13122872 0.78 CCNB2 (0.32) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL26124614 0.77 TSHR (0.35) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL26126507 0.77 IKBKB (0.33) TSHRCCNB2CDK1CCNB1CDK5
SCHEMBL12938133 0.77 TSHR (0.36) TSHRDHFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (3 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885CCNB2 1343/4885CDK1 240/4885
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION HAVCR2, EIF2AK2, MAVS TSHR 4415/4885CCNB2 2819/4885CDK1 1137/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 TSHR 4674/4885CCNB2 1584/4885CDK1 332/4885

“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.