SCHEMBL5134359

SCHEMBL5134359

C=CCn1c(=O)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.66
PDE4A P27815 8/20 0.66
PDE4B Q07343 8/20 0.66
PDE4C Q08493 8/20 0.66
PDE4D Q08499 8/20 0.66
ADORA2B P29275 7/20 0.62
ADORA3 P0DMS8 2/20 0.62
HPGD P15428 1/20 0.62
ADORA1 P30542 1/20 0.62
BLM P54132 1/20 0.62
PDE3A Q14432 1/20 0.62
HSD17B10 Q99714 1/20 0.62
PNP P00491 1/20 0.59
MPO P05164 3/20 0.45
TPO P07202 3/20 0.45
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8351662 0.82 ADORA2A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8351660 0.82 ADORA2A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7466316 0.80 ADORA2A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5515323 0.80 ADORA2A (0.71) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL516503 0.77 ADORA2B (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10980302 0.77 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3699117 0.77 PDE4A (0.73) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL156402 0.77 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
Enprofylline SCHEMBL1817246 0.77 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11215917 0.76 PDE4A (0.43) 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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960884-B1 Process for the production of 3,7-dialkylxanthins from 3-alkylxanthins AVENTIS PHARMA GMBH (DE) 2002-10-09 EP claimed
EP-0811623-B1 Xanthine derivatives with end-aminated alkynol side chains HOECHST AG (DE) 2001-04-04 EP claimed
EP-0597377-B1 Process for the production of 3,7-Dialkylxanthine from 3-Alkylxanthine AVENTIS PHARMA GMBH (DE) 2000-08-16 EP claimed
US-5475107-A Process for obtaining 3,7-dialkylxanthines from 3-alkyl-xanthines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-12-12 US claimed
EP-0270305-B1 SPHEROIDS Euroceltique S.A. (LU) 1993-01-20 EP claimed
EP-0344960-B1 CONTROLLED RELEASE DOSAGE FORMS HAVING A DEFINED WATER CONTENT EURO CELTIQUE SA (LU) 1992-12-30 EP claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
US-5091189-A Tablet contains 3-alkylxanthine, hydrophilic or hydrophobic polymers, and wax from the group consists of polyalkylene glycol EUROCELTIQUE S.A. (LU) 1992-02-25 US claimed
EP-0330031-B1 THERAPEUTIC AGENTS FOR THE TREATMENT OF PEPTIC ULCER DISEASE HOECHST JAPAN LIMITED (JP) 1991-12-11 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
EP-0268585-B1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-30 EP claimed
EP-0344960-A2 Controlled release dosage forms having a defined water content Euroceltique S.A. (LU) 1989-12-06 EP claimed
EP-0330031-A1 Therapeutic agents for the treatment of peptic ulcer disease HOECHST JAPAN LIMITED (JP) 1989-08-30 EP claimed
US-4844910-A CONTROLLED RELEASE OF THEOPHYLLINE DERIVATIVES EUROCELTIQUE, S.A. (LU) 1989-07-04 US claimed
EP-0270305-A2 Spheroids Euroceltique S.A. (LU) 1988-06-08 EP claimed
EP-0268585-A1 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF. HOECHST AG (DE) 1988-06-01 EP claimed
WO-1987000523-A2 TERTIARY HYDROXYALKYLXANTHINES, THEIR MANUFACTURING PROCESS, MEDICINES CONTAINING THEM AND USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-29 WO claimed
JP-6192260-A None JP disclosed
EP-0010531-A1 3-Alkylxanthines, processes for their preparation and compositions for use in the treatment of chronic obstructive airway disease and cardiac disease Aktiebolaget DRACO (SE) 1980-04-30 EP disclosed
EP-0010531-A1 3-Alkylxanthines, processes for their preparation and compositions for use in the treatment of chronic obstructive airway disease and cardiac disease Aktiebolaget DRACO (SE) 1980-04-30 EP disclosed