SCHEMBL1389178

SCHEMBL1389178

O=C(Cc1ccccc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2A P29274 19/20 1.00
ADORA1 P30542 18/20 1.00
ADORA2B P29275 11/20 1.00

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
SCHEMBL1389220 0.89 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389176 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389184 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4824435 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13746121 0.80 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389191 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1389169 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13746388 0.78 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL29386608 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL927261 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528363-A 2011-11-17 JP claimed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US claimed
EP-2300496-A1 METHODS OF TREATING ATHEROSCLEROSIS King Pharmaceuticals Research and Development Inc. (US) 2011-03-30 EP claimed
WO-2010009190-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-21 WO claimed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US claimed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US claimed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US claimed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US claimed
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS MCNC ENTERPRISE FUND, L.P. 2011-08-04 US disclosed
EP-2300496-A1 METHODS OF TREATING ATHEROSCLEROSIS King Pharmaceuticals Research and Development Inc. (US) 2011-03-30 EP disclosed
WO-2010009190-A1 METHODS OF TREATING ATHEROSCLEROSIS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2010-01-21 WO disclosed
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190324-A1 METHODS OF TREATING ATHEROSCLEROSIS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.