SCHEMBL278666

SCHEMBL278666

CC(C)(C)[Si](C)(C)OC[C@H]1OC(n2cnc3c(N)nc(I)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.51
NT5E P21589 1/20 0.47
LARS1 Q9P2J5 1/20 0.44
DNMT1 P26358 1/20 0.43
SARS1 P49591 1/20 0.42
IARS1 P41252 1/20 0.42
MARS1 P56192 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.41
HINT1 P49773 1/20 0.40
ADORA1 P30542 1/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 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
SCHEMBL13403858 1.00 ADORA3 (0.51) ADORA3NT5ELARS1DNMT1SARS1
SCHEMBL11910708 0.90 ADORA3 (0.53) ADORA3NT5ELARS1DNMT1SARS1
SCHEMBL278299 0.89 RNASEL (0.49) ADORA3NT5EDNMT1ADORA2AADORA2B
SCHEMBL13403857 0.89 RNASEL (0.49) ADORA3NT5EDNMT1ADORA2AADORA2B
SCHEMBL23629805 0.89 LMNA (0.46) ADORA3NT5ELARS1ADORA2AADORA1
SCHEMBL4757814 0.89 ADORA3 (0.56) ADORA3NT5EADORA2AADORA2BADORA1
SCHEMBL12799312 0.85 ADORA3 (0.67) ADORA3NT5ELARS1DNMT1SARS1
SCHEMBL18493293 0.85 ADORA3 (0.67) ADORA3NT5ELARS1DNMT1SARS1
SCHEMBL22220143 0.85 ADORA1 (0.50) ADORA3ADORA2AADORA2BADORA1
SCHEMBL21859151 0.85 ADORA1 (0.50) ADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-20070207978-A1 C-Pyrazole A2A receptor agonists CV THERAPEUTICS, INC. 2007-09-06 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 (6 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 2/4885NT5E 123/4885LARS1 2806/4885
US-20100272645-A1 MYOCARDIAL PERFUSION IMAGING METHOD ADORA2A, ADORA3, ADORA2B ADORA3 2/4885NT5E 31/4885LARS1 4086/4885
US-20070207978-A1 C-Pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R ADORA3 2/4885NT5E 381/4885LARS1 4107/4885
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods ADORA2A, ADORA3, ADORA1 ADORA3 2/4885NT5E 139/4885LARS1 3303/4885
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease ADORA2A, ADORA3, ADRB3 ADORA3 2/4885NT5E 56/4885LARS1 4010/4885
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods ADORA2A, FABP3, ADORA3 ADORA3 3/4885NT5E 111/4885LARS1 2357/4885

“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.