SCHEMBL1497312

SCHEMBL1497312

CCCn1c(=O)c2[nH]c(-c3ccc(NCc4cccc(OC)c4)nc3)nc2n(CCC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.65
ADORA1 P30542 10/20 0.65
ADORA2A P29274 9/20 0.65
ADORA3 P0DMS8 5/20 0.56

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
SCHEMBL1497259 0.92 ADORA2B (0.55) ADORA2BADORA1ADORA2A
SCHEMBL1497197 0.90 ADORA2B (0.70) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497294 0.88 ADORA2B (0.65) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497305 0.84 ADORA2B (0.55) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497272 0.84 ADORA2B (0.58) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497302 0.83 ADORA2B (0.66) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497237 0.83 ADORA2B (0.68) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497219 0.82 ADORA2B (0.64) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497249 0.81 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3
SCHEMBL1497234 0.81 ADORA2B (0.66) ADORA2BADORA1ADORA2AADORA3

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
CN-1894250-B Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC 2010-06-09 CN claimed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US claimed
CN-1894250-A Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC (US) 2007-01-10 CN claimed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US claimed
EP-2295434-B1 Substituted 8-heteroaryl xanthines DOGWOOD PHARMACEUTICALS INC (US) 2015-09-30 EP disclosed
EP-1658291-B1 SUBSTITUTED 8-HETEROARYL XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2013-10-02 EP disclosed
EP-2295434-A2 Substituted 8-heteroaryl xanthines Adenosine Therapeutics, LLC (US) 2011-03-16 EP disclosed
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES PGXHEALTH, LLC (US) 2010-10-28 US disclosed
CN-101851238-A The 8-heteroaryl xanthine that replaces ADENOTHERAPEUTICS LLC 2010-10-06 CN disclosed
US-7732455-B2 Substituted 8-heteroaryl xanthines PGX HEALTH, LLC (US) 2010-06-08 US disclosed
US-20080200456-A1 Substituted 8-Heteroaryl Xanthines ALLERGAN SALES, LLC 2008-08-21 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
CN-1894250-A Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC (US) 2007-01-10 CN disclosed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US 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 (3 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-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885ADORA2A 2/4885

“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.