SCHEMBL461786

SCHEMBL461786

Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.62
PDE1A P54750 1/20 0.62
PDE1B Q01064 1/20 0.62
PDE1C Q14123 1/20 0.62
POLB P06746 1/20 0.58
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP3A4 P08684 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ADORA2A P29274 3/20 0.55
ADORA2B P29275 3/20 0.55
CYP1A2 P05177 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ADORA1 P30542 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Water SCHEMBL28799658 0.98 PDE2A (0.60) PDE2APDE1APDE1BPDE1CPOLB
Caffeine SCHEMBL2327080 0.84 ADORA2A (0.68) PDE2APDE1APDE1BPDE1CPOLB
SCHEMBL7093373 0.81 CYP2C9 (0.50) PDE2APDE1APDE1BPDE1CPOLB
SCHEMBL515533 0.81 CYP3A4 (0.62) PDE2APDE1APDE1BPDE1CPOLB
SCHEMBL7017824 0.81 PDE2A (0.58) PDE2APDE1APDE1BPDE1CPOLB
SCHEMBL25249437 0.80 PDE1A (0.69) PDE2APDE1APDE1BPDE1CPOLB
Pamabrom SCHEMBL237881 0.79 POLB (0.61) POLBHSD17B10ALDH1A1CYP3A4CASP1
8-Chlorotheophylline SCHEMBL411139 0.79 POLB (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL1400610 0.79 ADORA2B (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL20783386 0.79 POLB (0.57) POLBHSD17B10ALDH1A1CYP3A4CASP1

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 1204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294421-B1 METHOD FOR COSMETIC TREATMENT OF THE SKIN CHA LING (FR) 2021-08-11 EP claimed
US-20190046471-A1 Methods and Compositions for the Treatment of Steatosis-Associated Disorders DUKE UNIVERSITY 2019-02-14 US claimed
CN-108430450-A Method for dermocosmesis treatment 茶灵 2018-08-21 CN claimed
EP-3294421-A1 METHOD FOR COSMETIC TREATMENT OF THE SKIN Cha, Ling (FR) 2018-03-21 EP claimed
WO-2017049157-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF STEATOSIS-ASSOCIATED DISORDERS DUKE UNIVERSITY (US) 2017-03-23 WO claimed
WO-2016181086-A1 METHOD FOR COSMETIC TREATMENT OF THE SKIN CHA LING (FR) 2016-11-17 WO claimed
CN-103837612-B Method for measuring related substances of doxofylline injection 黑龙江福和华星制药集团股份有限公司 2016-10-05 CN claimed
CN-105660906-A Functional health-care drink composition with effect of reducing blood fat and application thereof 中国土产畜产进出口总公司 2016-06-15 CN claimed
CN-105638937-A Black tea processing method 镇江市五峰茶场 2016-06-08 CN claimed
CN-105505957-A Specific primer pair, allele and molecular marker for screening thea section with low caffeine trait and screening method TEA RES INST CAAS 2016-04-20 CN claimed
CN-1087893-A The comprehensive technology of extracting tea-polyphenol trimethyl-xanthine phyllochlorin matter from tealeaves UNIV SICHUAN AGRICULTURAL (CN) 1994-06-15 CN claimed
CN-1068111-A (mixing) aryl oxide and sulfide derivative, its preparation method and pharmaceutical composition PERREL S P A (IT) 1993-01-20 CN claimed
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed