SCHEMBL314542

SCHEMBL314542

Nc1nc(I)nc2c1ncn2C1OC(CO)[C@@H](O)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.76
LMNA P02545 1/20 0.75
NT5E P21589 1/20 0.75
HIF1A Q16665 1/20 0.75
ADORA2A P29274 6/20 0.73
ADORA2B P29275 4/20 0.73
ADORA1 P30542 1/20 0.69
DPP4 P27487 1/20 0.69

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
SCHEMBL25756712 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL7932653 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL259446 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL6725190 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL14131245 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL24146779 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL13461111 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL10040218 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL278293 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A
SCHEMBL6934755 1.00 ADORA3 (0.76) ADORA3LMNANT5EHIF1AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120195827-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD SCIENCE, INC. 2012-08-02 US disclosed
US-8183226-B2 Myocardial perfusion imaging method GILEAD SCIENCES, INC. (US) 2012-05-22 US disclosed
US-8133879-B2 Myocardial perfusion imaging methods and compositions GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
US-20110144320-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS GILEAD PALO ALTO, INC. 2011-06-16 US disclosed
US-20100272645-A1 MYOCARDIAL PERFUSION IMAGING METHOD GILEAD PALO ALTO, INC. 2010-10-28 US disclosed
US-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS GILEAD PALO ALTO, INC. 2010-07-22 US disclosed
US-20100160620-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS GILEAD PALO ALTO, INC. 2010-06-24 US disclosed
US-20100081810-A1 C-Pyrazole A2A Receptor Agonists CV THERAPEUTICS, INC. 2010-04-01 US disclosed
US-20100081810-A1 C-Pyrazole A2A Receptor Agonists CV THERAPEUTICS, INC. 2010-04-01 US disclosed
US-7683037-B2 A2A receptor agonist; regadenoson (CVT-3146); produces coronary vasodilation without significant peripheral vasodilation; GILEAD PALO ALTO, INC. (US) 2010-03-23 US disclosed
US-7655637-B2 N-pyrazole A2A receptor agonists GILEAD PALO ALTO, INC. (US) 2010-02-02 US disclosed
US-7655637-B2 N-pyrazole A2A receptor agonists GILEAD PALO ALTO, INC. (US) 2010-02-02 US disclosed
US-7553823-B2 C-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods CV THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods CV THERAPEUTICS, INC. 2008-09-04 US disclosed
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease CV THERAPEUTICS, INC. (US) 2008-07-17 US disclosed
US-20070203090-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2007-08-30 US disclosed
US-20060052332-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2006-03-09 US disclosed
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 disclosed
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 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 (11 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-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885LMNA 1298/4885NT5E 123/4885
US-20100272645-A1 MYOCARDIAL PERFUSION IMAGING METHOD ADORA2A, ADORA3, ADORA2B ADORA3 2/4885LMNA 2390/4885NT5E 31/4885
US-20060052332-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA3 2/4885LMNA 3247/4885NT5E 115/4885
US-20110144320-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS ADORA2A, ADORA3, TBXA2R ADORA3 2/4885LMNA 3247/4885NT5E 115/4885
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods ADORA2A, ADORA3, ADORA1 ADORA3 2/4885LMNA 1087/4885NT5E 139/4885
US-20100160620-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS ADORA2A, ADORA3, TBXA2R ADORA3 2/4885LMNA 3247/4885NT5E 115/4885
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease ADORA2A, ADORA3, ADRB3 ADORA3 2/4885LMNA 1171/4885NT5E 56/4885
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods ADORA2A, FABP3, ADORA3 ADORA3 3/4885LMNA 785/4885NT5E 111/4885
US-20100081810-A1 C-Pyrazole A2A Receptor Agonists ADORA2A, ADORA3, TBXA2R ADORA3 2/4885LMNA 2553/4885NT5E 381/4885
US-20120195827-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885LMNA 1298/4885NT5E 123/4885
US-20070203090-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA3 2/4885LMNA 3247/4885NT5E 115/4885

“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.