SCHEMBL1120664

SCHEMBL1120664

NCc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.75
ADORA3 P0DMS8 2/20 0.75
ADORA2B P29275 2/20 0.75
ADORA1 P30542 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CYP1A2 P05177 1/20 0.75
MAPK1 P28482 1/20 0.75
RXFP1 Q9HBX9 2/20 0.73
PMP22 Q01453 2/20 0.71
TSHR P16473 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
SLC29A1 Q99808 1/20 0.69

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
SCHEMBL1120724 0.99 ADORA3 (0.76) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL4804505 0.89 ADORA2A (0.77) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL4190562 0.88 ADORA1 (0.77) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL5035090 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL14163183 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL4799496 0.87 ADORA3 (0.79) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL4803658 0.87 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL9498481 0.87 ADORA3 (0.98) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL2032222 0.87 ADORA2A (0.77) ADORA2AADORA3ADORA2BADORA1MEN1
SCHEMBL4803030 0.87 ADORA3 (0.98) ADORA2AADORA3ADORA2BADORA1MEN1

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 ADORA2A 2/4885ADORA3 3/4885ADORA2B 4/4885
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 ADORA2A 4/4885ADORA3 2/4885ADORA2B 9/4885

“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.