SCHEMBL5356397

SCHEMBL5356397

CCSC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)C(O)C1O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 13/20 0.78
DNMT1 P26358 3/20 0.70
DNMT3B Q9UBC3 2/20 0.70
ADORA2A P29274 4/20 0.67
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA9 Q16790 1/20 0.64
ADORA1 P30542 2/20 0.62
ADORA2B P29275 1/20 0.62
PDE2A O00408 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE3A Q14432 1/20 0.60
NT5E P21589 1/20 0.59

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
SCHEMBL5356383 1.00 ADORA3 (0.78) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL5363042 0.90 DNMT3B (0.71) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL5363047 0.90 DNMT3B (0.71) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL5354351 0.89 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL5354361 0.89 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL13860337 0.89 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL13860338 0.89 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL18176248 0.89 ADORA3 (0.77) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL13454897 0.88 ADORA3 (0.78) ADORA3DNMT1DNMT3BADORA2ACA1
SCHEMBL19843958 0.88 ADORA3 (0.78) ADORA3DNMT1DNMT3BADORA2ACA1

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 2/4885DNMT1 2984/4885DNMT3B 3784/4885

“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.