SCHEMBL1120743

SCHEMBL1120743

CCCCCCNc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
ACHE P22303 2/20 0.47
ADORA3 P0DMS8 6/20 0.47
ADORA1 P30542 5/20 0.47
ADORA2A P29274 4/20 0.47
SLC29A1 Q99808 1/20 0.44
ADORA2B P29275 1/20 0.43
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1120749 1.00 LMNA (0.58) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1120752 1.00 LMNA (0.58) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4797934 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4797921 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4797929 0.93 LMNA (0.61) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4806268 0.91 LMNA (0.64) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4806275 0.91 LMNA (0.64) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL4806258 0.91 LMNA (0.64) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1120649 0.89 LMNA (0.56) LMNAALDH1A1TP53MAPTTDP1
SCHEMBL1120650 0.89 LMNA (0.56) LMNAALDH1A1TP53MAPTTDP1

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 2001/4885ALDH1A1 129/4885TP53 4125/4885
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 LMNA 3102/4885ALDH1A1 472/4885TP53 4304/4885

“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.