SCHEMBL932949

SCHEMBL932949

O=c1[nH]c(=O)c2[nH]c(Br)nc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ADORA2B P29275 2/20 0.49
GDA Q9Y2T3 2/20 0.44
ACHE P22303 1/20 0.44
XDH P47989 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RPS6KA3 P51812 2/20 0.37
BLM P54132 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
PABPC1 P11940 1/20 0.36
ADORA2A P29274 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30728071 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL29737686 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL28407297 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL932609 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL10997 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL2786719 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL30537976 0.74 ALDH1A1 (0.60) MAPTADORA2BGDAACHEXDH
SCHEMBL2837685 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
Uric Acid SCHEMBL30269772 0.74 MAPT (0.53) MAPTADORA2BGDAACHEXDH
SCHEMBL31152019 0.72 MAPT (0.52) MAPTADORA2BGDAACHEXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates WOCKHARDT LTD (IN) 2016-10-20 US claimed
EP-2935266-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN Mylan Laboratories Ltd. (IN) 2015-10-28 EP claimed
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2015-10-22 US claimed
WO-2015004599-A1 AN IMPROVED PROCESS FOR PREPARING LINAGLIPTIN AND ITS KEY INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-01-15 WO claimed
WO-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO claimed
EP-2465859-A1 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists Life & Brain GmbH (DE) 2012-06-20 EP claimed
WO-2012076974-A1 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS LIFE & BRAIN GMBH (DE) 2012-06-14 WO claimed
US-20110245479-A1 Method for Generating Aptamers with Improved Off-Rates SOMALOGIC, INC. (US) 2011-10-06 US claimed
CN-101809167-A Methods of producing aptamers with improved off-rates SOMALOGIC INC 2010-08-18 CN claimed
US-20040132067-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2004-07-08 US claimed
US-20030054360-A1 Method and apparatus for the automated generation of nucleic acid ligands SOMALOGIC, INC. 2003-03-20 US claimed
US-6482594-B2 Made by exposing nucleic acid candidate sequences having photoreactive groups to the target molecule, irradiating complexes formed to crosslink, and separating the crosslinked complexes and amplifying to give the ligands SOMALOGIC, INC. 2002-11-19 US claimed
WO-2002077262-A2 METHOD AND APPARATUS FOR THE AUTOMATED GENERATION OF NUCLEIC ACID LIGANDS SOMALOGIC, INC. (US) 2002-10-03 WO claimed
US-20020106652-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2002-08-08 US claimed
US-6001577-A SCREENING FOR LIGANDS ASSOCIATED WITH A DISEASE BY DETECTING LIGAND THAT PHOTOCROSSLINKS TO TARGET WITH PHOTOREACTIVE GROUPS FROM CANDIDATE MIXTURE, REMOVING ANY NUCLEIC ACIDS WITH AFFINITIES NOT ASSOCIATED WITH DISEASE, AND AMPLIFYING NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-14 US claimed
EP-0736105-A4 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIV RESEARCH CORP (US) 1998-10-28 EP claimed
US-5763177-A SELEX IS AN ACRONYM FOR SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT; USEFUL FOR DIAGNOSIS AND/OR TREATMENT OF DISEASES OR PATHOLOGICAL OR TOXIC STATES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US claimed
EP-0736105-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX NeXstar Pharmaceuticals, Inc. (US) 1996-10-09 EP claimed
WO-1995008003-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIVERSITY RESEARCH CORPORATION (US) 1995-03-23 WO claimed

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-20110245479-A1 Method for Generating Aptamers with Improved Off-Rates DDX1, DDX3X, DDX18 MAPT 3254/4885ADORA2B 625/4885GDA 204/4885
US-20160304520-A1 An improved process for preparing Linagliptin and its key Intermediates DPP4, LCT, DPP3 MAPT 1535/4885ADORA2B 1797/4885GDA 1939/4885
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN DPP4, DPP3, DPP8 MAPT 2289/4885ADORA2B 1759/4885GDA 907/4885

“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.