SCHEMBL314536

SCHEMBL314536

CC(=O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
LMNA P02545 2/20 0.66
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HINT1 P49773 6/20 0.61
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
PNP P00491 1/20 0.53
NT5E P21589 1/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51

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
SCHEMBL4386265 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL3422978 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL278167 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1120690 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL1061031 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL25407962 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13462039 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL14144174 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL13296251 1.00 ALDH1A1 (0.68) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL16809000 0.95 ALDH1A1 (0.63) ALDH1A1LMNATP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. 2019-07-25 US disclosed
US-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS MODERNATX, INC. 2019-07-11 US disclosed
WO-2017066782-A1 HYDROPHOBIC MRNA CAP ANALOGS MODERNATX, INC. (US) 2017-04-20 WO disclosed
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-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-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-20040038928-A1 N-pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2004-02-26 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 (12 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-20040038928-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, ADORA1 ALDH1A1 1118/4885LMNA 3308/4885TP53 4170/4885
US-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ALDH1A1 1336/4885LMNA 1298/4885TP53 2068/4885
US-20100272645-A1 MYOCARDIAL PERFUSION IMAGING METHOD ADORA2A, ADORA3, ADORA2B ALDH1A1 1258/4885LMNA 2390/4885TP53 4038/4885
US-20190211368-A1 TRINUCLEOTIDE MRNA CAP ANALOGS RNGTT, RNMT, CPSF7 ALDH1A1 4506/4885LMNA 2216/4885TP53 990/4885
US-20060052332-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ALDH1A1 1264/4885LMNA 3247/4885TP53 4204/4885
US-20110144320-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS ADORA2A, ADORA3, TBXA2R ALDH1A1 1264/4885LMNA 3247/4885TP53 4204/4885
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods ADORA2A, ADORA3, ADORA1 ALDH1A1 1130/4885LMNA 1087/4885TP53 4421/4885
US-20100160620-A1 N-PYRAZOLE A2A RECEPTOR AGONISTS ADORA2A, ADORA3, TBXA2R ALDH1A1 1264/4885LMNA 3247/4885TP53 4204/4885
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods ADORA2A, FABP3, ADORA3 ALDH1A1 1118/4885LMNA 785/4885TP53 4592/4885
US-20120195827-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 ALDH1A1 1336/4885LMNA 1298/4885TP53 2068/4885
US-20190225644-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING RNGTT, RNMT, NSUN2 ALDH1A1 3967/4885LMNA 2009/4885TP53 1714/4885
US-20070203090-A1 N-pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ALDH1A1 1264/4885LMNA 3247/4885TP53 4204/4885

“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.