SCHEMBL9158460

SCHEMBL9158460

C=CCn1c(=O)c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c2n(CC=C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 11/20 0.53
▸ ADORA3 P0DMS8 7/20 0.53
▸ ADORA2A P29274 5/20 0.53
▸ ADORA1 P30542 5/20 0.53
▸ PTPN1 P18031 1/20 0.43
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL9158476 1.00 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9156860 0.85 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9156851 0.85 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555024 0.83 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1
SCHEMBL6555021 0.83 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1
SCHEMBL6554077 0.82 ADORA2B (0.72) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554064 0.82 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554070 0.82 ADORA2B (0.72) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554062 0.82 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9155692 0.82 ADORA2B (0.64) ADORA2BADORA3ADORA2AADORA1PTPN1

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 14 patents. 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-4879296-A BLOCKING ADERNOSINE CELL SURFACE EFFECTS BURROUGHS WELLCOME CO. (US) 1989-11-07 — — US claimed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP claimed
EP-0639055-A1 METHODS OF TREATING OBESITY WITH PURINE RELATED COMPOUNDS THE PENN STATE RESEARCH FOUNDATION (US) 1995-02-22 — — EP disclosed
US-5300298-A Methods of treating obesity with purine related compounds THE PENNSYLVANIA RESEARCH CORPORATION (US) 1994-04-05 — — US 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-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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