SCHEMBL5353522

SCHEMBL5353522

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 1.00
DNMT1 P26358 4/20 0.72
ADORA2A P29274 3/20 0.67
DNMT3B Q9UBC3 3/20 0.60
NT5E P21589 1/20 0.59
PNMT P11086 1/20 0.59
DOT1L Q8TEK3 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
SCHEMBL5354287 1.00 ADORA3 (1.00) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL5349938 0.93 ADORA3 (1.00) ADORA3DNMT1ADORA2ADNMT3BPNMT
SCHEMBL5349929 0.93 ADORA3 (1.00) ADORA3DNMT1ADORA2ADNMT3BPNMT
SCHEMBL5354088 0.89 ADORA3 (1.00) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL5354093 0.89 ADORA3 (1.00) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL5397405 0.89 ADORA3 (0.80) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL5397399 0.89 ADORA3 (0.80) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL14559270 0.88 ADORA3 (0.78) ADORA3DNMT1ADORA2ANT5E
SCHEMBL5347901 0.88 ADORA3 (0.78) ADORA3DNMT1ADORA2ADNMT3BNT5E
SCHEMBL5356383 0.88 ADORA3 (0.78) ADORA3DNMT1ADORA2ADNMT3BNT5E

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 11 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-7084127-B2 C2,5′-disubstituted and N6, C2,5′-trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2006-08-01 US claimed
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 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-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-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity CAN-FITE BIOPHARMA LTD. (IL) 2005-12-15 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
EP-1368365-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 EP disclosed
WO-2002070532-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 WO 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 (3 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 2984/4885ADORA2A 1/4885
US-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity AHR, MSR1, ALOX15 ADORA3 32/4885DNMT1 4737/4885ADORA2A 61/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885DNMT1 2526/4885ADORA2A 1/4885

“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.