SCHEMBL1242572

SCHEMBL1242572

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(NCCN4CCCCC4)nc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.47
ADORA2A P29274 5/20 0.44
ADORA1 P30542 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1000007 0.99 ADORA2B (0.46) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1000023 0.92 ADORA2B (0.48) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL9885736 0.92 ADORA2B (0.50) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL14346065 0.88 ADORA2B (0.49) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL9885735 0.88 ADORA2B (0.50) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1001313 0.87 ADORA2B (0.49) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL9885739 0.86 ADORA2B (0.48) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL12083926 0.85 ADORA2B (0.51) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL1001695 0.85 ADORA2B (0.51) ADORA2BADORA2AADORA1KDM4EMEN1
SCHEMBL24786698 0.85 KDM4E (0.42) ADORA2BADORA2AADORA1KDM4EMEN1

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
EP-2029143-B1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES DOGWOOD PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8258142-B2 Substituted 8-[6-amino-3-pyridyl]xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-8193200-B2 administering a substituted 8-(3-pyridyl)-xanthine; ulcerative colitis; Crohn's disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-06-05 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ALLERGAN SALES, LLC 2011-04-07 US disclosed
US-7875608-B2 selective antagonists of A2B adenosine receptors; 6-Chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridin-2-yl]-N-(2-pyridin-2-yl-ethyl)-nicotinamide; for treating asthma, diarrhea, insulin resistance, and diabetic retinopathy ADENOSINE THERAPEUTICS, LLC 2011-01-25 US disclosed
US-7875608-B2 selective antagonists of A2B adenosine receptors; 6-Chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-pyridin-2-yl]-N-(2-pyridin-2-yl-ethyl)-nicotinamide; for treating asthma, diarrhea, insulin resistance, and diabetic retinopathy ADENOSINE THERAPEUTICS, LLC 2011-01-25 US disclosed
US-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADENOSINE THERAPEUTICS, LTD. 2009-06-25 US disclosed
US-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADENOSINE THERAPEUTICS, LTD. 2009-06-25 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease EMORY UNIVERSITY 2008-07-24 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 US disclosed
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ALLERGAN SALES, LLC 2008-01-03 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 (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-20090163491-A1 SUBSTITUTED 8-[6-AMINO-3PYRIDYL]XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20110082139-A1 SUBSTITUTED 8-[6-AMINO-3-PYRIDYL]XANTHINES ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20080004292-A1 Substituted 8-[6-amino-3-pyridyl]xanthines ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885
US-20080176845-A1 Antagonists of A2B adenosine receptors for treatment of inflammatory bowel disease ADORA2B, ADORA2A, ADORA1 ADORA2B 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.