SCHEMBL1120612

SCHEMBL1120612

CC(=O)OCC1OC(n2cnc3c(NCc4ccccc4)nc(I)nc32)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.65
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ADORA3 P0DMS8 3/20 0.56
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56
NT5E P21589 9/20 0.51
CDK1 P06493 2/20 0.51
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA2B P29275 1/20 0.47

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
SCHEMBL1120610 1.00 ACHE (0.65) ACHEALDH1A1LMNATP53MAPT
SCHEMBL1120608 1.00 ACHE (0.65) ACHEALDH1A1LMNATP53MAPT
SCHEMBL24078860 0.93 ACHE (0.66) ACHEALDH1A1LMNATP53MAPT
SCHEMBL19370259 0.93 ACHE (0.66) ACHEALDH1A1LMNATP53MAPT
SCHEMBL4803780 0.92 ALDH1A1 (0.61) ACHEALDH1A1LMNATP53MAPT
SCHEMBL4803787 0.92 ALDH1A1 (0.61) ACHEALDH1A1LMNATP53MAPT
SCHEMBL4803791 0.92 ALDH1A1 (0.61) ACHEALDH1A1LMNATP53MAPT
SCHEMBL24601162 0.91 ALDH1A1 (0.70) ACHEALDH1A1LMNATP53MAPT
SCHEMBL24601281 0.90 ACHE (0.63) ACHEALDH1A1LMNATP53MAPT
SCHEMBL6320952 0.90 ALDH1A1 (0.57) ACHEALDH1A1LMNATP53MAPT

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
EP-1943251-B8 A1 ADENOSINE RECEPTOR AGONISTS GILEAD PALO ALTO INC (US) 2011-03-23 EP disclosed
EP-1943251-B1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2011-02-09 EP disclosed
US-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ELZEIN ELFATIH 2009-05-28 US disclosed
US-7488720-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2009-02-10 US disclosed
EP-1943251-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-07-16 EP disclosed
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
WO-2007047401-A2 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2007-04-26 WO disclosed
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid CV THERAPEUTICS, INC. 2007-04-19 US disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO 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 (3 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-20090137520-A1 A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 ACHE 2632/4885ALDH1A1 129/4885LMNA 2001/4885
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ACHE 1907/4885ALDH1A1 77/4885LMNA 1717/4885
US-20070087994-A1 treating tachycardia and atrial flutter, angina, and myocardial infarction; N-({9-[(4S ,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(cyclopentylamino)purin-2-yl}methyl)carbamoylmethylsulfonic acid FFAR1, ADORA3, ADORA1 ACHE 1739/4885ALDH1A1 472/4885LMNA 3102/4885

“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.