SCHEMBL5362972

SCHEMBL5362972

CSC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.77
NT5E P21589 2/20 0.76
LMNA P02545 1/20 0.76
HIF1A Q16665 1/20 0.76
DNMT1 P26358 1/20 0.67
DNMT3B Q9UBC3 1/20 0.67
CA5A P35218 1/20 0.66
ADORA2A P29274 3/20 0.65
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
AHCY P23526 2/20 0.60
NADK O95544 1/20 0.58

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
SCHEMBL2404114 1.00 ADORA3 (0.77) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL19849513 1.00 ADORA3 (0.77) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL2047953 0.92 ADORA3 (0.66) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL5347893 0.89 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL5347901 0.89 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL2118563 0.88 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL2118571 0.88 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL15926825 0.88 ADORA3 (0.78) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL17752649 0.88 NT5E (0.81) ADORA3NT5ELMNAHIF1ADNMT1
SCHEMBL19843952 0.88 NT5E (0.81) ADORA3NT5ELMNAHIF1ADNMT1

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 claimed
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 claimed
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-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 (1 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 2/4885NT5E 27/4885LMNA 1971/4885

“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.