SCHEMBL789316

SCHEMBL789316

Cn1c(C=Cc2ccccc2)nc2[nH]c(=O)[nH]c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 1/20 0.42
DPYD Q12882 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ADORA2A P29274 1/20 0.40
GDA Q9Y2T3 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL789315 1.00 NPC1 (0.50) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL27915130 0.83 DPYD (0.39) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL14473118 0.79 ADORA2A (0.54) KMT2AKDM4EALDH1A1MAPTADORA2A
SCHEMBL9585370 0.76 NPC1 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL9585367 0.76 NPC1 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL7288931 0.69 ADORA2A (0.76) KDM4EALDH1A1ADORA2ACYP1A2CYP2D6
SCHEMBL7402395 0.69 ADORA2A (0.76) KDM4EALDH1A1ADORA2ACYP1A2CYP2D6
SCHEMBL561427 0.69 ADORA2B (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL561426 0.69 ADORA2B (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL8810819 0.68 NOD1 (0.39) RAB9AKMT2AKDM4EALDH1A1MAPT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US claimed
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2010-07-15 US claimed
WO-2010065959-A1 METHOD OF PREPARING ADENOSINE-RESISTANT ANTI-TUMOR T LYMPHOCYTES FOR ADOPTIVE IMMUNOTHERAPY NORTHEASTERN UNIVERSITY (US) 2010-06-10 WO claimed
EP-2111231-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NorthEastern University (US) 2009-10-28 EP claimed
EP-1765352-A4 ANTAGONIZING AN ADENOSINE A2A RECEPTOR TO AMELIORIATE ONE OR MORE COMPONENTS OF ADDICTIVE BEHAVIOR UNIV CALIFORNIA (US) 2009-07-08 EP claimed
WO-2008147482-A2 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES NORTHEASTERN UNIVERSITY (US) 2008-12-04 WO claimed
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 US claimed
CN-101060841-A Antagonizing an adenosine A2A receptor to amelioriate one or more components of addictive behavior UNIV CALIFORNIA (US) 2007-10-24 CN claimed
EP-1765352-A2 ANTAGONIZING AN ADENOSINE A2A RECEPTOR TO AMELIORIATE ONE OR MORE COMPONENTS OF ADDICTIVE BEHAVIOR The Regents of the University of California (US) 2007-03-28 EP claimed
US-20060128708-A1 Antagonizing an adenosine A2A receptor to ameliorate one or more components of addictive behavior THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-06-15 US claimed
WO-2006009698-A2 ANTAGONIZING AN ADENOSINE A2A RECEPTOR TO AMELIORIATE ONE OR MORE COMPONENTS OF ADDICTIVE BEHAVIOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 WO claimed
US-20190083497-A1 MODULATION OF BLOOD BRAIN BARRIER PERMEABILITY UNIV CORNELL (US) 2019-03-21 US disclosed
EP-2274007-B1 MODULATION OF BLOOD BRAIN BARRIER PERMEABILITY UNIV CORNELL (US) 2016-12-14 EP disclosed
CN-102014959-B Modulation of blood brain barrier permeability CORNELL UNIVERSITY (US) 2016-01-20 CN disclosed
US-8883500-B2 Method of preparing adenosine-resistant anti-tumor T lymphocytes for adoptive immunotherapy NORTHEASTERN UNIVERSITY (US) 2014-11-11 US disclosed
US-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2008-03-13 US disclosed
CN-101060841-A Antagonizing an adenosine A2A receptor to amelioriate one or more components of addictive behavior UNIV CALIFORNIA (US) 2007-10-24 CN disclosed
EP-1765352-A2 ANTAGONIZING AN ADENOSINE A2A RECEPTOR TO AMELIORIATE ONE OR MORE COMPONENTS OF ADDICTIVE BEHAVIOR The Regents of the University of California (US) 2007-03-28 EP disclosed
US-20060128708-A1 Antagonizing an adenosine A2A receptor to ameliorate one or more components of addictive behavior THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-06-15 US disclosed
WO-2006009698-A2 ANTAGONIZING AN ADENOSINE A2A RECEPTOR TO AMELIORIATE ONE OR MORE COMPONENTS OF ADDICTIVE BEHAVIOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 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 (2 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-20080064653-A1 USE OF ADENOSINE A2A MODULATORS TO TREAT SPINAL CORD INJURY ADORA2A, ADORA2B, ADORA3 NPC1 4003/4885RAB9A 1925/4885KMT2A 3229/4885
US-20100178299-A1 METHODS AND COMPOSITIONS FOR IMPROVING IMMUNE RESPONSES HIF1AN, HIF1A, EGLN3 NPC1 2139/4885RAB9A 3009/4885KMT2A 1072/4885

“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.