SCHEMBL873362

SCHEMBL873362

CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.72
ADORA1 P30542 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ADORA2A P29274 2/20 0.71
ADORA2B P29275 2/20 0.71
DPP4 P27487 1/20 0.71
MEN1 O00255 1/20 0.71
SLC28A1 O00337 1/20 0.71
MAP3K7 O43318 1/20 0.71
SLC28A2 O43868 1/20 0.71
GAPDH P04406 1/20 0.71
MAPK1 P28482 1/20 0.71
STAT6 P42226 1/20 0.71
PI4KA P42356 1/20 0.71
KMT2A Q03164 1/20 0.71
PI4K2B Q8TCG2 1/20 0.71
DOT1L Q8TEK3 1/20 0.71
SLC29A1 Q99808 1/20 0.71
PI4K2A Q9BTU6 1/20 0.71
SLC28A3 Q9HAS3 1/20 0.71

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
SCHEMBL3698839 1.00 ADORA3 (0.72) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL2534140 0.91 EHMT1 (0.70) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL8328542 0.91 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL3446755 0.90 ADORA1 (0.71) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL29936475 0.89 EHMT1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL8671037 0.89 EHMT1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL8671033 0.89 EHMT1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL384075 0.89 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL15788449 0.89 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL41361 0.89 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
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 ADORA3 2/4885ADORA1 3/4885SMN1; SMN2 2910/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885SMN1; SMN2 2686/4885

“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.