SCHEMBL832604

SCHEMBL832604

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nsc2ccc(CBr)cc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.35
PAX8 Q06710 1/20 0.33
SSTR4 P31391 1/20 0.33
GRM2 Q14416 1/20 0.32
AKT1 P31749 1/20 0.32
GLS O94925 1/20 0.31
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL30681899 0.84 SOS1 (0.38) PDPK1PAX8SSTR4
SCHEMBL377341 0.83 PDPK1 (0.35) PDPK1PAX8SSTR4
SCHEMBL833581 0.79 PDPK1 (0.32) PDPK1
SCHEMBL26617940 0.79 SOS1 (0.36) PDPK1PAX8SSTR4
SCHEMBL1759492 0.76 PDPK1 (0.35) PDPK1SSTR4GRM2AKT1HTR2C
SCHEMBL3738636 0.76 SSTR4 (0.37) PDPK1SSTR4GRM2AKT1HDAC3
SCHEMBL17980919 0.75 PDPK1 (0.38) PDPK1SSTR4GRM2AKT1HTR2C
SCHEMBL17981183 0.74 PDPK1 (0.36) PDPK1SSTR4GRM2AKT1HDAC3
SCHEMBL30917350 0.74 PAX8 (0.40) PAX8GRM2AKT1
SCHEMBL832667 0.73 PDPK1 (0.32) PDPK1PAX8

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 17 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-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
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP 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 PDPK1 3663/4885PAX8 1932/4885SSTR4 3169/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PDPK1 3668/4885PAX8 2558/4885SSTR4 2139/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT PDPK1 3717/4885PAX8 1971/4885SSTR4 2487/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 PDPK1 4325/4885PAX8 2707/4885SSTR4 1844/4885

“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.