SCHEMBL15042860

SCHEMBL15042860

CC(C)c1ccc2c(c1)NC(=O)Cc1cc(C(C)C)[nH]c1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNB2 O95067 7/20 0.36
CDK1 P06493 7/20 0.36
CCNB1 P14635 7/20 0.36
GSK3B P49841 7/20 0.36
CDK5 Q00535 7/20 0.36
CDK5R1 Q15078 7/20 0.36
CCNB3 Q8WWL7 7/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KIF11 P52732 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 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
SCHEMBL15042912 0.80 MEN1 (0.37) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL15042852 0.79 LMNA (0.38) HPGDGFERHSD17B10KMT2AKDM4E
SCHEMBL2607637 0.77 AHR (0.56) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL15042818 0.74 MEN1 (0.35) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL2611053 0.74 AHR (0.56) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL15042840 0.73 HPGD (0.42) HPGDGFERHSD17B10KDM4EKIF11
SCHEMBL13560743 0.73 LMNA (0.38) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL15042870 0.71 KDM4E (0.35) HPGDGFERHSD17B10MEN1KMT2A
SCHEMBL22525923 0.71 TDP2 (0.58) HPGDGFERHSD17B10
SCHEMBL15045451 0.70 GSK3B (0.46) HSD17B10CCNB2CDK1CCNB1GSK3B

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 HPGD 984/4885GFER 2397/4885HSD17B10 230/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HPGD 3077/4885GFER 4725/4885HSD17B10 615/4885

“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.