SCHEMBL15045555

SCHEMBL15045555

Cc1ccc2c(c1)NC(=O)Cc1nc(C)[nH]c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.44
CCNB2 O95067 7/20 0.44
CDK1 P06493 7/20 0.44
CCNB1 P14635 7/20 0.44
CDK5 Q00535 7/20 0.44
CDK5R1 Q15078 7/20 0.44
CCNB3 Q8WWL7 7/20 0.44
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP12 P39900 1/20 0.39
PLK1 P53350 1/20 0.39
GSK3A P49840 1/20 0.39
EPHX2 P34913 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15045451 0.77 GSK3B (0.46) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL12066538 0.77 CA12 (0.34) RAB9ASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL13561536 0.76 POLB (0.49) RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL26998804 0.74 PDE3B (0.50) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL15042818 0.71 MEN1 (0.35) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL15045568 0.70 MMP12 (0.42) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL2756736 0.69 TYMS (0.42) RAB9ASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL15045583 0.69 PGR (0.37) RAB9ASMN1; SMN2BRD4KDM4EALDH1A1
SCHEMBL10274620 0.68 EPHX2 (0.55) GSK3BCCNB2CDK1CCNB1CDK5
SCHEMBL10141060 0.67 PARP10 (0.40) CDK1CCNB1CDK5CDK5R1RAB9A

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-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (2 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 GSK3B 4423/4885CCNB2 2769/4885CDK1 2292/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L GSK3B 3621/4885CCNB2 2225/4885CDK1 1405/4885

“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.