SCHEMBL5363047

SCHEMBL5363047

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 3/20 0.71
DNMT1 P26358 3/20 0.71
ADORA3 P0DMS8 11/20 0.71
ADORA2A P29274 3/20 0.67
DOT1L Q8TEK3 1/20 0.61
PRMT7 Q9NVM4 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL5363042 1.00 DNMT3B (0.71) DNMT3BDNMT1ADORA3ADORA2ADOT1L
SCHEMBL5356383 0.90 ADORA3 (0.78) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL5356397 0.90 ADORA3 (0.78) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL13860338 0.86 ADORA3 (0.77) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL5354351 0.86 ADORA3 (0.77) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL13860337 0.86 ADORA3 (0.77) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL5354361 0.86 ADORA3 (0.77) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL18176248 0.86 ADORA3 (0.77) DNMT3BDNMT1ADORA3ADORA2ACA1
SCHEMBL6897966 0.85 DOT1L (0.83) DNMT3BDNMT1DOT1LPRMT7
SCHEMBL30216716 0.85 DOT1L (0.83) DNMT3BDNMT1DOT1LPRMT7

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 DNMT3B 3784/4885DNMT1 2984/4885ADORA3 2/4885

“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.