SCHEMBL15042935

SCHEMBL15042935

CC(C)c1cc2ccc3c(C(C)C)n[nH]c3c2cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
TGFBR1 P36897 1/20 0.32
AURKB Q96GD4 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
SCHEMBL19485889 0.82 GRM4 (0.34) GRM4
SCHEMBL15042937 0.77 KIF11 (0.36) AURKAAURKB
SCHEMBL25843819 0.74 AURKA (0.35) GRM4AURKAPDPK1TGFBR1AURKB
SCHEMBL15042931 0.74 EIF4A3 (0.38) AURKAAURKB
SCHEMBL15042934 0.74 AURKA (0.31) AURKAPDPK1TGFBR1AURKB
SCHEMBL15042936 0.74 AURKA (0.31) AURKAPDPK1TGFBR1AURKB
SCHEMBL4548302 0.73 KIF11 (0.41) AURKAAURKB
SCHEMBL13561703 0.73 KDM4E (0.33) GRM4
SCHEMBL13560733 0.73 GRM4 (0.33) GRM4
SCHEMBL15042933 0.72 CCR1 (0.32)

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 GRM4 1483/4885AURKA 3812/4885PDPK1 4813/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L GRM4 2558/4885AURKA 1836/4885PDPK1 4391/4885

“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.