SCHEMBL15042818

SCHEMBL15042818

CC(C)c1ccc2c(c1)NC(=O)Cc1nc(C(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 8/20 0.32
CCNB2 O95067 7/20 0.32
CDK1 P06493 7/20 0.32
CCNB1 P14635 7/20 0.32
CDK5 Q00535 7/20 0.32
CDK5R1 Q15078 7/20 0.32
CCNB3 Q8WWL7 7/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KDM5B Q9UGL1 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
SCHEMBL12294482 0.79 KDM4E (0.36) HPGDGFERHSD17B10GSK3BKIF11
SCHEMBL17973035 0.74 CYP17A1 (0.34) HPGDGFERHSD17B10GSK3BKDM4E
SCHEMBL15042860 0.74 HPGD (0.37) MEN1KMT2AHPGDGFERHSD17B10
SCHEMBL2707318 0.72 KDM4E (0.35) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL12294490 0.72 HSD17B10 (0.37) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL15045555 0.71 GSK3B (0.44) HSD17B10SMN1; SMN2GSK3BCCNB2CDK1
SCHEMBL15042845 0.71 NPSR1 (0.33) MEN1KMT2AHPGDGFERHSD17B10
SCHEMBL15042912 0.70 MEN1 (0.37) MEN1KMT2AHPGDGFERHSD17B10
SCHEMBL10118796 0.70 PSMB5 (0.36) HPGDGFERHSD17B10KDM4ELMNA
SCHEMBL10118798 0.70 KDM4E (0.36) HPGDGFERHSD17B10SMN1; SMN2KDM4E

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 MEN1 2525/4885KMT2A 1061/4885HPGD 984/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L MEN1 2324/4885KMT2A 1933/4885HPGD 3077/4885

“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.