SCHEMBL278511

SCHEMBL278511

CC(C)(C)[Si](C)(C)OC[C@H]1OC(n2cnc3c(Cl)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.47
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA1 P30542 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SLC29A1 Q99808 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
DPP4 P27487 1/20 0.35
SLC28A1 O00337 1/20 0.35
MAP3K7 O43318 1/20 0.35
SLC28A2 O43868 1/20 0.35
GAPDH P04406 1/20 0.35

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
SCHEMBL10388698 1.00 TYMP (0.47) TYMPTP53ALDH1A1LMNAMAPT
SCHEMBL21382713 0.91 TYMP (0.45) TYMPTP53ALDH1A1LMNAMAPT
SCHEMBL20908820 0.91 TYMP (0.45) TYMPTP53ALDH1A1LMNAMAPT
SCHEMBL11910711 0.90 TYMP (0.46) TYMPTP53ALDH1A1LMNAMAPT
SCHEMBL14424392 0.89 TYMP (0.50) TYMPTP53ALDH1A1LMNAMAPT
SCHEMBL24453499 0.89 TYMP (0.48) TYMPTP53LMNAADORA1MEN1
SCHEMBL22220143 0.88 ADORA1 (0.50) ADORA1MEN1KMT2APDE4DSLC29A1
SCHEMBL21859282 0.88 ADORA1 (0.50) ADORA1MEN1KMT2APDE4DSLC29A1
SCHEMBL6762689 0.88 ADORA1 (0.50) ADORA1MEN1KMT2APDE4DSLC29A1
SCHEMBL21859151 0.88 ADORA1 (0.50) ADORA1MEN1KMT2APDE4DSLC29A1

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 11 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-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-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 (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-20100183503-A1 MYOCARDIAL PERFUSION IMAGING METHODS AND COMPOSITIONS ADORA2A, ADORA3, ADORA1 TYMP 864/4885TP53 2068/4885ALDH1A1 1336/4885
US-20100272645-A1 MYOCARDIAL PERFUSION IMAGING METHOD ADORA2A, ADORA3, ADORA2B TYMP 491/4885TP53 4038/4885ALDH1A1 1258/4885
US-20070207978-A1 C-Pyrazole A2A receptor agonists ADORA2A, ADORA3, TBXA2R TYMP 1121/4885TP53 4377/4885ALDH1A1 1002/4885
US-20080213165-A1 Methods and Compositions for Increasing Patent Tolerability During Myocardial Imaging Methods ADORA2A, ADORA3, ADORA1 TYMP 609/4885TP53 4421/4885ALDH1A1 1130/4885
US-20080170990-A1 Methods for Myocardial Imaging in Patients Having a History of Pulmonary Disease ADORA2A, ADORA3, ADRB3 TYMP 1030/4885TP53 4642/4885ALDH1A1 2120/4885
US-20090081120-A1 Methods and Compositions for Increasing Patient Tolerability During Myocardial Imaging Methods ADORA2A, FABP3, ADORA3 TYMP 567/4885TP53 4592/4885ALDH1A1 1118/4885
US-20100081810-A1 C-Pyrazole A2A Receptor Agonists ADORA2A, ADORA3, TBXA2R TYMP 1121/4885TP53 4377/4885ALDH1A1 1002/4885

“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.