SCHEMBL271016

SCHEMBL271016

CN(C=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.72
ADORA3 P0DMS8 2/20 0.68
ADORA2B P29275 1/20 0.68
ADORA1 P30542 1/20 0.68
ADRA1A P35348 1/20 0.68
LMNA P02545 1/20 0.55
NT5E P21589 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL15158228 1.00 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL4539668 1.00 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ADRA1A
Water SCHEMBL489161 0.99 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL15158230 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL271324 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL2367515 0.92 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL2883494 0.86 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL1985230 0.85 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1ADRA1A
SCHEMBL3949118 0.84 ADORA3 (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL18556282 0.84 ADORA2A (0.80) ADORA2AADORA3ADORA2BADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760637-A2 STABLE SOLID FORMS OF REGADENOSON AMRI Italy S.r.l. (IT) 2021-01-06 EP claimed
EP-2789624-B1 Stable solid forms of regadenoson AMRI ITALY SRL (IT) 2020-09-23 EP claimed
US-RE47351-E1 2-(N-pyrazolo)adenosines with application as adenosine A2A receptor agonists GILEAD SCIENCES, INC. (US) 2019-04-16 US claimed
US-RE47301-E1 Process for preparing an A2A-adenosine receptor agonist and its polymorphs GILEAD SCIENCES, INC. (US) 2019-03-19 US claimed
US-10144756-B2 Stable solid forms of regadenoson AMRI ITALY S.R.L. (IT) 2018-12-04 US claimed
EP-1989214-B1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD SCIENCES INC (US) 2016-06-22 EP claimed
EP-2984099-A1 STABLE SOLID FORMS OF REGADENOSON Euticals S.P.A. (IT) 2016-02-17 EP claimed
US-20160024137-A1 STABLE SOLID FORMS OF REGADENOSON AMRI ITALY S.R.L. (IT) 2016-01-28 US claimed
US-9085601-B2 Process for preparing an A2A-adenosine receptor agonist and its polymorphs GILEAD SCIENCES, INC. (US) 2015-07-21 US claimed
EP-2158208-B1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS GILEAD SCIENCES INC (US) 2015-04-08 EP claimed
WO-2008063712-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS IN THE TREATMENT OF ISCHEMIA CV THERAPEUTICS, INC. (US) 2008-05-29 WO claimed
US-20070299089-A1 Use of A2A Adenosine Receptor Agonists in the Treatment of Ischemia CV THERAPEUTICS, INC. 2007-12-27 US claimed
US-20070265445-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD SCIENCES, INC. 2007-11-15 US claimed
US-20070225247-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress GILEAD SCIENCES, INC. 2007-09-27 US claimed
WO-2007092372-A1 PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS CV THERAPEUTICS, INC. (US) 2007-08-16 WO claimed
US-7183264-B2 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. (US) 2007-02-27 US claimed
US-20050175535-A1 Myocardial perfusion imaging method CV THERAPEUTICS, INC. 2005-08-11 US claimed
US-20040038928-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2004-02-26 US claimed
EP-1189916-B1 N-PYRAZOLE A 2A RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2003-12-10 EP claimed
US-6642210-B1 Administering compound to mammal by intravenous bolus injection to stress heart and induce coronary steal situation, stimulating coronary vasodilation, in order to image heart CV THERAPEUTICS, INC. 2003-11-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070265445-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20040038928-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 5/4885
US-20070299089-A1 Use of A2A Adenosine Receptor Agonists in the Treatment of Ischemia ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20070225247-A1 (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20160024137-A1 STABLE SOLID FORMS OF REGADENOSON CYP2D6, RAB6A, F7 ADORA2A 462/4885ADORA3 390/4885ADORA2B 309/4885
US-20050175535-A1 Myocardial perfusion imaging method ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-10144756-B2 Stable solid forms of regadenoson CYP2D6, RAB6A, F7 ADORA2A 462/4885ADORA3 390/4885ADORA2B 309/4885

“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.