SCHEMBL244199

SCHEMBL244199

CCCn1c(=O)n(C2CC2)c(=O)c2[nH]c(-c3ccc(N(CC)C(=O)c4cccnc4)nc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.45
ADORA2A P29274 11/20 0.45
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29462312 1.00 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1243773 0.95 ADORA2A (0.45) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1243808 0.94 ADORA2A (0.44) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL9885724 0.93 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1240971 0.92 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1243815 0.92 ADORA2A (0.42) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL13172254 0.92 ADORA2B (0.43) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1243256 0.92 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL1240892 0.92 ADORA2A (0.44) ADORA2BADORA2AADORA1ADORA3
SCHEMBL1243563 0.91 ADORA2B (0.44) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694074-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS Gilead Sciences, Inc. (US) 2014-02-12 EP claimed
WO-2012154340-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS GILEAD SCIENCES, INC. (US) 2012-11-15 WO claimed
US-20120258974-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS GILEAD SCIENCES, INC. 2012-10-11 US claimed
US-12258303-B2 Metal salts and uses thereof INSPIRNA, INC. (US) 2025-03-25 US disclosed
US-20240174595-A1 METAL SALTS AND USES THEREOF INSPIRNA, INC. 2024-05-30 US disclosed
EP-4073025-B1 METAL SALTS AND USES THEREOF INSPIRNA INC (US) 2024-03-27 EP disclosed
US-11878956-B2 Metal salts and uses thereof INSPIRNA, INC. (US) 2024-01-23 US disclosed
US-20230095288-A1 METAL SALTS AND USES THEREOF INSPIRNA, INC. 2023-03-30 US disclosed
US-11459292-B2 Metal salts and uses thereof INSPIRNA, INC. (US) 2022-10-04 US disclosed
US-20220041541-A1 METAL SALTS AND USES THEREOF RGENIX, INC. 2022-02-10 US disclosed
US-11174220-B2 Metal salts and uses thereof INSPIRNA, INC. (US) 2021-11-16 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 US disclosed
US-7884100-B2 Substituted 8-[6-amino-3-pyridyl]xanthines PGXHEALTH, LLC (US) 2011-02-08 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 (10 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-20120258974-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING HEART FAILURE AND ARRHYTHMIA IN POST-MYOCARDIAL INFARCTION PATIENTS ADORA2B, ADORA2A, ADRA2B ADORA2B 1/4885ADORA2A 2/4885ADORA1 5/4885
US-20240174595-A1 METAL SALTS AND USES THEREOF SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
US-11174220-B2 Metal salts and uses thereof SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
US-20220041541-A1 METAL SALTS AND USES THEREOF SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
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
US-12258303-B2 Metal salts and uses thereof SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
US-11459292-B2 Metal salts and uses thereof SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
US-20230095288-A1 METAL SALTS AND USES THEREOF SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885
US-11878956-B2 Metal salts and uses thereof SLC30A5, SLC30A7, SLC30A6 ADORA2B 1425/4885ADORA2A 2253/4885ADORA1 2058/4885

“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.