SCHEMBL5397405

SCHEMBL5397405

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

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.80
DNMT1 P26358 5/20 0.68
AHCY P23526 1/20 0.57
NT5E P21589 1/20 0.57
DNMT3B Q9UBC3 5/20 0.56
DOT1L Q8TEK3 2/20 0.56
PNMT P11086 1/20 0.56
PRMT7 Q9NVM4 1/20 0.55
ADORA2A P29274 1/20 0.54

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
SCHEMBL5397399 1.00 ADORA3 (0.80) ADORA3DNMT1AHCYNT5EDNMT3B
SCHEMBL5353522 0.89 ADORA3 (1.00) ADORA3DNMT1NT5EDNMT3BDOT1L
SCHEMBL5354287 0.89 ADORA3 (1.00) ADORA3DNMT1NT5EDNMT3BDOT1L
SCHEMBL5349929 0.86 ADORA3 (1.00) ADORA3DNMT1DNMT3BDOT1LPNMT
SCHEMBL5349938 0.86 ADORA3 (1.00) ADORA3DNMT1DNMT3BDOT1LPNMT
SCHEMBL2827171 0.85 AHCY (0.79) ADORA3DNMT1AHCYDNMT3BDOT1L
SCHEMBL19433018 0.85 AHCY (0.79) ADORA3DNMT1AHCYDNMT3BDOT1L
SCHEMBL17551956 0.85 AHCY (0.79) ADORA3DNMT1AHCYDNMT3BDOT1L
SCHEMBL2827179 0.85 AHCY (0.79) ADORA3DNMT1AHCYDNMT3BDOT1L
SCHEMBL5354088 0.85 ADORA3 (1.00) ADORA3DNMT1AHCYNT5EDNMT3B

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 8 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 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
WO-2005111053-A2 PHARMACEUTICAL COMPOSITIONS HAVING ANTI-INFLAMMATORY ACTIVITY CAN-FITE BIOPHARMA LTD. (IL) 2005-11-24 WO 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 2984/4885AHCY 425/4885
US-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity AHR, MSR1, ALOX15 ADORA3 32/4885DNMT1 4737/4885AHCY 738/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885DNMT1 2526/4885AHCY 273/4885

“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.