SCHEMBL1497230

SCHEMBL1497230

CCn1c(=O)c2[nH]c(-c3ccc(NN)nc3)nc2n(CC)c1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.62
ADORA1 P30542 4/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
PMP22 Q01453 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ADORA2A P29274 2/20 0.53

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
SCHEMBL4510610 0.90 ADORA2B (0.67) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497236 0.90 ADORA2B (0.63) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497246 0.89 ADORA2B (0.62) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497254 0.85 ADORA2B (0.57) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497191 0.84 ADORA2B (0.67) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497299 0.83 ADORA2B (0.58) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497260 0.83 ADORA2B (0.56) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497252 0.83 ADORA2B (0.66) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497251 0.82 ADORA2B (0.59) ADORA2BADORA1KDM4EALDH1A1CYP1A2
SCHEMBL1497310 0.81 ADORA2B (0.53) ADORA2BADORA1KDM4EALDH1A1CYP1A2

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
US-20050065341-A1 Substituted 8-heteroaryl xanthines ALLERGAN SALES, LLC 2005-03-24 US claimed
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
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-7579348-B2 Derivatives of 8-substituted xanthines PGXHEALTH, LLC (US) 2009-08-25 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
US-20070249598-A1 Derivatives of 8-substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-10-25 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 (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-20080200456-A1 Substituted 8-Heteroaryl Xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885KDM4E 3207/4885
US-20050065341-A1 Substituted 8-heteroaryl xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885KDM4E 3207/4885
US-20070249598-A1 Derivatives of 8-substituted xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885KDM4E 3131/4885
US-20100273780-A1 SUBSTITUTED 8-HETEROARYL XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA1 4/4885KDM4E 3207/4885

“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.