SCHEMBL15042934

SCHEMBL15042934

CC(C)c1ccc2ccc3c(C(C)C)n[nH]c3c2n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
TGFBR1 P36897 1/20 0.31
AURKB Q96GD4 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
SCHEMBL15042936 0.81 AURKA (0.31) AURKAPDPK1TGFBR1AURKB
SCHEMBL15042935 0.74 GRM4 (0.36) AURKAPDPK1TGFBR1AURKB
SCHEMBL4548302 0.73 KIF11 (0.41) AURKAAURKB
SCHEMBL15042933 0.73 CCR1 (0.32)
SCHEMBL22277859 0.73 GRM4 (0.36) AURKAPDPK1TGFBR1AURKB
SCHEMBL4585312 0.72 CCR1 (0.43)
SCHEMBL15042939 0.72 TLR8 (0.35)
SCHEMBL15042937 0.71 KIF11 (0.36) AURKAAURKB
SCHEMBL15042931 0.71 EIF4A3 (0.38) AURKAAURKB
SCHEMBL15042940 0.68

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 AURKA 3812/4885PDPK1 4813/4885TGFBR1 4795/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L AURKA 1836/4885PDPK1 4391/4885TGFBR1 4788/4885

“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.