SCHEMBL1095773

SCHEMBL1095773

O=C(O)n1c(=O)[nH]c2nc(-c3ccccc3)[nH]c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.66
ADORA2A P29274 3/20 0.66
ADORA3 P0DMS8 8/20 0.61
XDH P47989 1/20 0.50
ADORA1 P30542 2/20 0.48
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIN1 Q13526 1/20 0.44

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
SCHEMBL515920 0.79 ADORA2B (1.00) ADORA2BADORA2AADORA3XDHADORA1
SCHEMBL12709006 0.76 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1CYP1A2
SCHEMBL921113 0.74 LMNA (0.38) ADORA2BADORA2AADORA3ADORA1KDM4E
SCHEMBL29494961 0.74 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1KDM4E
SCHEMBL31060455 0.72 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL23607969 0.71 ADORA2B (0.58) ADORA2BADORA2AADORA3XDHADORA1
SCHEMBL23607951 0.70 ADORA2B (0.71) ADORA2BADORA2AADORA3XDHADORA1
SCHEMBL23607967 0.69 ADORA2B (0.56) ADORA2BADORA2AADORA3XDHADORA1
SCHEMBL5827259 0.69 ADORA2B (0.56) ADORA2BADORA2AADORA3XDHADORA1
SCHEMBL378879 0.69 ADORA2B (1.00) ADORA2BADORA2AADORA3XDHADORA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153781-B2 Dendrimer conjugates of agonists and antagonists of the GPCR superfamily THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-10 US disclosed
EP-2170401-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2010-04-07 EP disclosed
US-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-01-08 US disclosed
WO-2009006046-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed
US-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 US disclosed
EP-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 EP disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 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-20090012035-A1 DENDRIMER CONJUGATES OF AGONISTS AND ANTAGONISTS OF THE GPCR SUPERFAMILY ADORA1, ADORA2A, ADORA3 ADORA2B 9/4885ADORA2A 2/4885ADORA3 3/4885
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA3 4/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2B 1/4885ADORA2A 2/4885ADORA3 5/4885

“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.