SCHEMBL941769

SCHEMBL941769

C=[N+](NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 4/20 0.62
EHMT2 Q96KQ7 3/20 0.62
ADORA1 P30542 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
P2RY1 P47900 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
P2RY2 P41231 3/20 0.58
SRC P12931 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL6569310 0.83 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL120562 0.82 ADORA3 (0.68) EHMT1EHMT2ADORA1ADORA3ADORA2A
SCHEMBL939593 0.82 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL8708990 0.82 ADORA1 (0.71) EHMT1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL940814 0.81 EHMT1 (0.59) EHMT1EHMT2ADORA1ADORA3ADORA2A
SCHEMBL13268990 0.81 EHMT1 (0.71) EHMT1EHMT2ADORA1ADORA3ADORA2A
SCHEMBL120551 0.81 ADORA3 (0.69) EHMT1EHMT2ADORA1ADORA3ADORA2A
SCHEMBL2294351 0.81 ADORA1 (0.58) EHMT1EHMT2ADORA1ADORA3ADORA2A
SCHEMBL28978257 0.80 P2RY1 (0.65) ADORA1ADORA3ADORA2AADORA2BP2RY1
SCHEMBL5063589 0.79 ADORA1 (0.65) EHMT1EHMT2ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205671-A1 Compositions and methods for use of a protease inhibitor and adenosine for preventing organ ischemia and reperfusion injury EMORY UNIVERSITY 2006-09-14 US claimed
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO claimed
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 US disclosed
EP-2498774-B1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2017-10-11 EP disclosed
US-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2015-12-31 US disclosed
US-9163057-B2 Methods of myocardial perfusion imaging GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150023867-A1 METHODS OF MYOCARDIAL PERFUSION IMAGING GILEAD SCIENCES, INC. (US) 2015-01-22 US disclosed
US-20130136693-A1 Crystal Forms of 2--Adenosine KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC (US) 2013-05-30 US disclosed
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2012-11-22 US disclosed
US-20110044904-A1 CRYSTAL FORMS OF 2--ADENOSINE KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2011-02-24 US disclosed
US-20050209185-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-22 US disclosed
US-20050175535-A1 Myocardial perfusion imaging method CV THERAPEUTICS, INC. 2005-08-11 US disclosed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 WO disclosed
WO-2004091596-A2 COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 US disclosed
EP-1397140-A2 COMBINATION OF AN ADENOSINE A2A-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-03-17 EP disclosed
US-6599283-B1 Method of preventing reperfusion injury CV THERAPEUTICS, INC. 2003-07-29 US disclosed
US-20030013675-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-16 US disclosed
WO-2002094273-A2 COMBINATION OF AN ADENOSINE A2A-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-28 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 (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-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 EHMT1 2265/4885EHMT2 2532/4885ADORA1 2/4885
US-20130136693-A1 Crystal Forms of 2--Adenosine ADORA2A, NT5C2, ADORA3 EHMT1 4709/4885EHMT2 4336/4885ADORA1 4/4885
US-20050209185-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases ADORA2A, ADORA3, ADORA2B EHMT1 3927/4885EHMT2 3692/4885ADORA1 4/4885
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 EHMT1 2265/4885EHMT2 2532/4885ADORA1 2/4885
US-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A EHMT1 2499/4885EHMT2 2012/4885ADORA1 11/4885
US-20030013675-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases ADORA2A, ADORA3, ADORA2B EHMT1 4103/4885EHMT2 3225/4885ADORA1 4/4885
US-20150023867-A1 METHODS OF MYOCARDIAL PERFUSION IMAGING TNNI3, FABP3, TNNT2 EHMT1 2527/4885EHMT2 1808/4885ADORA1 270/4885
US-20050175535-A1 Myocardial perfusion imaging method ADORA2A, ADORA3, ADORA2B EHMT1 4205/4885EHMT2 3501/4885ADORA1 5/4885
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 EHMT1 2265/4885EHMT2 2532/4885ADORA1 2/4885
US-20110044904-A1 CRYSTAL FORMS OF 2--ADENOSINE ADORA2A, NT5C2, ADORA3 EHMT1 4709/4885EHMT2 4336/4885ADORA1 4/4885

“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.