SCHEMBL5357901

SCHEMBL5357901

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.75
ADORA3 P0DMS8 5/20 0.75
ADORA2B P29275 4/20 0.75
ADORA1 P30542 1/20 0.75
PI4KA P42356 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
PI4KB Q9UBF8 1/20 0.62

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
SCHEMBL5354417 0.91 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL25757130 0.89 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL25756766 0.89 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL24146799 0.89 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL25756700 0.89 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL5359028 0.85 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5359016 0.85 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6939834 0.85 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2292923 0.84 ADORA3 (0.71) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL5734723 0.83 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 US disclosed
US-7084127-B2 C2,5′-disubstituted and N6, C2,5′-trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2006-08-01 US disclosed
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 US disclosed
US-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2004-07-01 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-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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.