SCHEMBL9155055

SCHEMBL9155055

CCCn1c(=O)[nH]c(=O)c2nc(-c3ccc(/C=C/C(=O)O)cc3)[nH]c21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 18/20 0.66
▸ ADORA3 P0DMS8 9/20 0.66
▸ ADORA2A P29274 9/20 0.61
▸ ADORA1 P30542 4/20 0.61
▸ PTPN1 P18031 1/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9155062 1.00 ADORA2B (0.66) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9151995 0.92 ADORA2B (0.57) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9151989 0.92 ADORA2B (0.57) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9153726 0.88 ADORA2B (0.54) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9153738 0.88 ADORA2B (0.54) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9156870 0.87 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9156883 0.87 ADORA2B (0.52) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555021 0.85 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KMT2A
SCHEMBL6555024 0.85 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KMT2A
SCHEMBL9159455 0.84 ADORA2B (0.66) 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 15 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-0243192-A2 Antiviral 8-Phenylxanthines THE WELLCOME FOUNDATION LIMITED (GB) 1987-10-28 — — EP disclosed
EP-0203721-A2 8-Phenyl xanthines THE WELLCOME FOUNDATION LIMITED (GB) 1986-12-03 — — EP disclosed
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