SCHEMBL9156860

SCHEMBL9156860

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.60
▸ ADORA3 P0DMS8 6/20 0.60
▸ ADORA2A P29274 5/20 0.60
▸ ADORA1 P30542 4/20 0.60
▸ PTPN1 P18031 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9156851 1.00 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9158534 0.92 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9158550 0.92 ADORA2B (0.58) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6555021 0.89 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL6555024 0.89 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL9155681 0.88 ADORA2B (0.64) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9155692 0.88 ADORA2B (0.64) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554062 0.86 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL6554064 0.86 ADORA2B (0.55) ADORA2BADORA3ADORA2AADORA1PTPN1
SCHEMBL9158460 0.85 ADORA2B (0.53) 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
Send feedback