SCHEMBL833073

SCHEMBL833073

O=c1[nH]c2ncccc2cc1CBr

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.59
AURKA O14965 1/20 0.44
PARP1 P09874 1/20 0.44
RIPK1 Q13546 12/20 0.42
IDH1 O75874 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39

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
SCHEMBL22185856 0.85 DAO (0.61) DAOAURKAPARP1RIPK1IDH1
SCHEMBL13906225 0.84 DAO (0.59) DAOAURKAPARP1RIPK1IDH1
SCHEMBL5677159 0.80 DAO (0.59) DAOAURKAPARP1RIPK1KDM4E
SCHEMBL15528142 0.78 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL435130 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL3714541 0.75 DAO (1.00) DAOAURKAPARP1RIPK1
SCHEMBL668758 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL21226786 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL1574005 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2
SCHEMBL29756947 0.75 DAO (0.65) DAOAURKAPARP1RIPK1CCNB2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF DREXEL UNIVERSITY 2015-01-08 US disclosed
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF DREXEL UNIVERSITY 2015-01-08 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
WO-2013090725-A1 NOVEL PI3K p110 INHIBITORS AND METHODS OF USE THEREOF PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2013-06-20 WO 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-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-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
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 DAO 704/4885AURKA 1654/4885PARP1 963/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 DAO 434/4885AURKA 1855/4885PARP1 1603/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT DAO 153/4885AURKA 2483/4885PARP1 1275/4885
US-20150011569-A1 NOVEL P13K p110 INHIBITORS AND METHODS OF USE THEREOF PIK3R5, PIK3R4, PIK3CD DAO 4314/4885AURKA 723/4885PARP1 1919/4885

“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.