Sugi Predict

Sugi Predict / Compounds / SCHEMBL389988

SCHEMBL389988

SCHEMBL389988

CC(C)(C)OC(=O)n1ncc2cc(C=O)c(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.44
▸ ITK Q08881 1/20 0.44
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ TAOK1 Q7L7X3 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ EEF2K O00418 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ NEK4 P51957 1/20 0.37
▸ PRKG2 Q13237 1/20 0.37
▸ PKN2 Q16513 1/20 0.37

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
SCHEMBL3695597 0.84 EGFR (0.46) EGFRITKROCK2ROCK1CHEK2
SCHEMBL18345074 0.83 EGFR (0.43) EGFRITKROCK2ROCK1CHEK2
SCHEMBL20348862 0.83 EGFR (0.43) EGFRITKROCK2ROCK1CHEK2
SCHEMBL30237888 0.82 ROCK2 (0.45) EGFRITKROCK2ROCK1CHEK2
SCHEMBL26204290 0.82 EGFR (0.43) EGFRITKROCK2ROCK1CHEK2
SCHEMBL3518443 0.82 EGFR (0.45) EGFRITKROCK2ROCK1CHEK2
SCHEMBL387774 0.80 EGFR (0.44) EGFRITKROCK2ROCK1CHEK2
SCHEMBL3710758 0.80 ERN1 (0.34) TAOK1CLK4CHEK1AURKADAPK3
SCHEMBL12058336 0.79 EGFR (0.41) EGFRITKROCK2ROCK1CHEK2
SCHEMBL829659 0.79 ROCK2 (0.43) EGFRITKROCK2ROCK1CHEK2

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 29 patents — showing the first 20. 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-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 — — US disclosed
US-8614229-B2 Substituted indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-12-24 — — 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-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 — — US disclosed
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 — — EP 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-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-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 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
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — US disclosed
US-20100239527-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-09-23 — — US disclosed
EP-2195317-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-16 — — EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 — — WO disclosed
WO-2009032125-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING 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 (3 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EGFR 2031/4885ITK 3364/4885ROCK2 1575/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT EGFR 2629/4885ITK 3934/4885ROCK2 2504/4885
US-20100239527-A1 2,3-SUBSTITUTED AZAINDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS HAVCR2, AZI2, ZC3HAV1 EGFR 3122/4885ITK 3919/4885ROCK2 2167/4885

“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.