SCHEMBL538418

SCHEMBL538418

CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.54
PDE4A P27815 3/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
ADORA2B P29275 5/20 0.45
ADORA1 P30542 3/20 0.45
ADORA3 P0DMS8 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4623457 0.87 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11017311 0.87 ADORA2A (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4796596 0.84 PDE1A (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4626790 0.84 ADORA2A (0.58) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11020666 0.84 ADORA2A (0.42) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645114 0.84 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10535017 0.84 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6676076 0.84 HPGD (0.38) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9706596 0.84 ADORA2A (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9644450 0.83 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150184166-A1 CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-07-02 US claimed
EP-2861740-A1 CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES University of Iowa Research Foundation (US) 2015-04-22 EP claimed
WO-2013187957-A1 CAFFEINE RESPONSIVE PROMOTERS AND REGULATORY GENES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2013-12-19 WO claimed
EP-2344126-A1 METHOD FOR TREATMENT OF COPD AND OTHER PULMONARY DISEASES Activaero GmbH (DE) 2011-07-20 EP claimed
WO-2010043981-A1 METHOD FOR TREATMENT OF COPD AND OTHER PULMONARY DISEASES ACTIVAERO GMBH (DE) 2010-04-22 WO claimed
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-1322185-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 EP disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
US-4546182-A TREATMENT OF RESPIRATORY AND CARDIO-VASCULAR DISORDERS AKTIEBOLAGET DRACO (SE) 1985-10-08 US disclosed
EP-0038784-B1 3,8-DIALKYLXANTHINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Aktiebolaget DRACO (SE) 1984-10-31 EP disclosed
EP-0038784-A2 3,8-Dialkylxanthines, processes for their preparation and compositions containing them Aktiebolaget DRACO (SE) 1981-10-28 EP disclosed