SCHEMBL1497193

SCHEMBL1497193

CCCn1c(=O)c2[nH]c(-c3ccc(NCCNC(C)=O)nc3)nc2n(CCC)c1=O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.68
ADORA2A P29274 8/20 0.68
ADORA1 P30542 3/20 0.56
ADORA3 P0DMS8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 1/20 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
SCHEMBL1497249 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1497221 0.89 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1497219 0.86 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL24787652 0.85 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL30073384 0.85 ADORA2B (0.65) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1001281 0.85 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1497271 0.84 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1497640 0.84 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL23873498 0.83 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1497235 0.83 ADORA2B (0.65) ADORA2BADORA2AADORA1ADORA3KDM4E

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 20 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
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP claimed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US claimed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 WO 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
CN-101851238-B Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC 2012-07-18 CN 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
CN-1894250-B Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS LLC 2010-06-09 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
EP-1658291-A2 SUBSTITUTED 8-HETEROARYL XANTHINES Adenosine Therapeutics, LLC (US) 2006-05-24 EP disclosed
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US disclosed
WO-2005021548-A2 SUBSTITUTED 8-HETEROARYL XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2005-03-10 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 (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 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.