SCHEMBL6464355

SCHEMBL6464355

C=CCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
ADORA3 P0DMS8 7/20 1.00
ADORA2A P29274 9/20 0.66
PDE4A P27815 7/20 0.66
PDE4B Q07343 7/20 0.66
PDE4C Q08493 7/20 0.66
PDE4D Q08499 7/20 0.66
ACHE P22303 1/20 0.40
GDA Q9Y2T3 1/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
KMT2A Q03164 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HPGD P15428 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
SCHEMBL5134361 0.98 ADORA2B (0.97) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL8536544 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL2143506 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL10818065 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7491460 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL2842239 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL941660 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL380135 0.80 ADORA2A (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL27586849 0.80 ADORA2A (0.71) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5515444 0.80 ADORA2A (0.71) ADORA2BADORA3ADORA2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755254-B1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2005-05-18 EP claimed
EP-0755254-A4 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS UNIV PENNSYLVANIA (US) 2002-01-16 EP claimed
EP-0755254-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-01-29 EP claimed
US-5504090-A Compositions and methods for the prevention and treatment of ischemia-reperfusion organ injury TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-04-02 US claimed
WO-1995026728-A1 PREVENTION AND TREATMENT OF ISCHEMIA-REPERFUSION AND ENDOTOXIN-RELATED INJURY USING ADENOSINE AND PURINO RECEPTOR ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-10-12 WO 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
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
JP-54088296-A None JP disclosed
JP-54088297-A None JP disclosed
JP-6192260-A None JP disclosed
JP-54115392-A None JP disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
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 disclosed
US-4772607-A ALZHEIMER*S DISEASE, CNS STIMULANT, ANTIFIBRILLATORY, BRONCHODILATOR WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
CN-85106465-A A kind of preparation process of pharmaceutical preparation 1986-10-29 CN disclosed
US-4450163-A ANTIBODY INHIBITORS; N-ALKYLATION OF XANTHINES USING PHASE TRANSFER AGENTS SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1984-05-22 US disclosed
JP-S54115392-A PREPARATION OF OXOHEXYLXANTHINE NIKKEN KAGAKU KK 1979-09-07 JP disclosed
JP-S5488297-A PRODUCTION OF OXOALKYLXANTHINE NIKKEN KAGAKU KK 1979-07-13 JP disclosed
JP-S5488296-A PRODUCTION OF OXOALKYLXANTHINE DERIVATIVE NIKKEN KAGAKU KK 1979-07-13 JP disclosed