SCHEMBL6554063

SCHEMBL6554063

Cn1c(=O)c2nc(-c3ccc(C=CC(=O)O)cc3)[nH]c2n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.55
▸ ADORA2A P29274 7/20 0.55
▸ ADORA3 P0DMS8 6/20 0.55
▸ ADORA1 P30542 5/20 0.55
▸ PTPN1 P18031 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6554060 1.00 ADORA2B (0.55) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9158568 0.90 ADORA2B (0.52) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9158550 0.88 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9158534 0.88 ADORA2B (0.58) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9159465 0.87 ADORA2B (0.66) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9152046 0.87 ADORA2B (0.68) ADORA2BADORA2AADORA3ADORA1KDM4E
SCHEMBL9152034 0.87 ADORA2B (0.68) ADORA2BADORA2AADORA3ADORA1KDM4E
SCHEMBL9159455 0.87 ADORA2B (0.66) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9157860 0.85 ADORA2B (0.61) ADORA2BADORA2AADORA3ADORA1PTPN1
SCHEMBL9157870 0.85 ADORA2B (0.61) ADORA2BADORA2AADORA3ADORA1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639055-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1995-02-22 — — EP claimed
WO-1993021783-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1993-11-11 — — WO claimed
EP-0203721-B1 8-PHENYL XANTHINES THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-10 — — EP claimed
US-4980379-A ENHANCING EFFICIENCY BY REDUCING ADENOSINE LEVELS THE UNIVERSITY OF VIRGINIA (US) 1990-12-25 — — US claimed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP claimed
EP-1104422-B1 PHENYL XANTHINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-02-18 — — EP disclosed
US-6166032-A Method for controlling tobacco use and alleviating withdrawal symptoms due to cessation of tobacco use SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2000-12-26 — — US disclosed
US-5981549-A Method for controlling or alleviating the symptoms of respiratory disease and allergies SYNAPSE PHARMACEUTICAL INTERNATIONAL (CA) 1999-11-09 — — US disclosed
US-5916903-A Method for reducing the effects of antineoplastic disease treatment SYNAPSE PAHRMACEUTICALS INTERNATIONAL, INC. (CA) 1999-06-29 — — US disclosed
US-5900418-A Method for treatment of obesity SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 1999-05-04 — — US disclosed
US-5760049-A Method for controlling tobacco use and alleviating withdrawal symptoms due to cessation of tobacco use SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 1998-06-02 — — US disclosed
EP-0639055-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1995-02-22 — — EP disclosed
WO-1993021783-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1993-11-11 — — WO disclosed
EP-0203721-B1 8-PHENYL XANTHINES THE WELLCOME FOUNDATION LIMITED (GB) 1992-06-10 — — EP disclosed
US-5017577-A Using Purine Cinnamic Acids BURROUGHS WELLCOME CO. (US) 1991-05-21 — — US disclosed
US-5015647-A Using Purine Cinnamic Acid Compounds BURROUGHS WELLCOME CO. (US) 1991-05-14 — — US disclosed
US-4981857-A ADENOSINE ANTAGONIST BURROUGHS WELLCOME CO. (US) 1991-01-01 — — US disclosed
US-4980379-A ENHANCING EFFICIENCY BY REDUCING ADENOSINE LEVELS THE UNIVERSITY OF VIRGINIA (US) 1990-12-25 — — US disclosed
US-4879296-A BLOCKING ADERNOSINE CELL SURFACE EFFECTS BURROUGHS WELLCOME CO. (US) 1989-11-07 — — US disclosed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP disclosed
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