SCHEMBL5142644

SCHEMBL5142644

CCCn1c(=O)c2c(nc(C=Cc3cc(OC)cc(OC)c3)n2C)n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.72
ADORA3 P0DMS8 1/20 0.72
ADORA2B P29275 1/20 0.72

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
SCHEMBL5142642 1.00 ADORA2A (0.72) ADORA2AADORA3ADORA2B
SCHEMBL7307851 0.91 ADORA2A (0.72) ADORA2AADORA3ADORA2B
SCHEMBL7307860 0.91 ADORA2A (0.72) ADORA2AADORA3ADORA2B
SCHEMBL7732154 0.89 ADORA2A (0.75) ADORA2AADORA3ADORA2B
SCHEMBL7732157 0.89 ADORA2A (0.75) ADORA2AADORA3ADORA2B
SCHEMBL7548317 0.87 ADORA2A (0.61) ADORA2AADORA3ADORA2B
SCHEMBL7548324 0.87 ADORA2A (0.61) ADORA2AADORA3ADORA2B
SCHEMBL7343340 0.87 ADORA2A (0.79) ADORA2AADORA3ADORA2B
SCHEMBL7343327 0.87 ADORA2A (0.79) ADORA2AADORA3ADORA2B
SCHEMBL7543255 0.86 ADORA2A (0.68) ADORA2AADORA3ADORA2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037833-A1 Compositions and methods for inhibiting neurodegeneration THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2007-02-15 US claimed
US-5859019-A Methods for protecting against cardiac ischemia by administering adenosine A2a receptor antagonists TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-01-12 US claimed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
US-5861405-A A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-19 US disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
WO-1994025462-A1 8-SUBSTITUTED 1,3,7-TRIALKYL-XANTHINE DERIVATIVES AS A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1994-11-10 WO disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed