SCHEMBL1497261

SCHEMBL1497261

CCCn1c(=O)c2c(nc(-c3ccc(Cl)nc3)n2CCBr)n(CCC)c1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.56
ADORA2A P29274 9/20 0.49
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL1497286 0.90 ADORA2B (0.57) ADORA2BADORA2ACYP1A2CYP3A4PDE4A
SCHEMBL1497229 0.86 ADORA2B (0.67) ADORA2BADORA2ACYP1A2CYP3A4PDE4A
SCHEMBL7031251 0.80 ADORA2B (0.71) ADORA2BADORA2ACYP1A2CYP3A4PDE4A
SCHEMBL7037369 0.75 ADORA2B (0.88) ADORA2BADORA2ACYP1A2CYP3A4HSD17B10
SCHEMBL4467031 0.73 ADORA2B (0.67) ADORA2BADORA2ACYP1A2CYP3A4PDE4A
SCHEMBL1001096 0.72 ADORA2B (0.67) ADORA2BADORA2ACYP1A2CYP3A4HSD17B10
SCHEMBL14344322 0.71 ADORA2B (0.68) ADORA2BADORA2AADORA3
SCHEMBL3632524 0.70 GRM5 (0.59)
SCHEMBL7034258 0.69 ADORA2B (0.56) ADORA2BADORA2ACYP1A2CYP3A4PDE4A
SCHEMBL3633794 0.68 MEN1 (0.50)

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 18 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
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 1/4885ADORA2A 2/4885CYP1A2 203/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885CYP1A2 203/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885CYP1A2 203/4885

“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.