SCHEMBL833056

SCHEMBL833056

CC(C)(C)OC(=O)n1ncc2ccc(CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
EEF2K O00418 1/20 0.46
MAP4K4 O95819 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46
NEK4 P51957 1/20 0.46
PRKG2 Q13237 1/20 0.46
PKN2 Q16513 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
AURKB Q96GD4 1/20 0.46
PBK Q96KB5 1/20 0.46
SLK Q9H2G2 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
CHEK2 O96017 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PAK1 Q13153 1/20 0.42

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
SCHEMBL25105304 0.90 ROCK2 (0.52) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL833052 0.88 ROCK2 (0.44) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL9796 0.83 KMO (0.46) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL29507001 0.83 KMO (0.46) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL15533551 0.81 HTR2A (0.45) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL25702553 0.80 GABRG2 (0.46) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL1032516 0.80 TAOK1 (0.50) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL12624938 0.79 EGFR (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL1579011 0.79 HTR2A (0.47) ROCK2ROCK1EEF2KMAP4K4CLK2
SCHEMBL30040856 0.79 EGFR (0.39) ROCK2ROCK1EEF2KMAP4K4CLK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO 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 (4 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 ROCK2 2902/4885ROCK1 2864/4885EEF2K 2646/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 ROCK2 1575/4885ROCK1 3006/4885EEF2K 1088/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT ROCK2 2504/4885ROCK1 2733/4885EEF2K 1356/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ROCK2 3754/4885ROCK1 3928/4885EEF2K 1992/4885

“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.