SCHEMBL5360761

SCHEMBL5360761

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1S

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.65
▸ NT5E P21589 1/20 0.59
▸ GSK3A P49840 2/20 0.56
▸ RPS6KA3 P51812 2/20 0.56
▸ MAPK14 Q16539 2/20 0.56
▸ TGM2 P21980 1/20 0.55
▸ HPGD P15428 2/20 0.54
▸ STING1 Q86WV6 2/20 0.54
▸ PDE3B Q13370 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ PNP P00491 1/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.52
▸ FUT5 Q11128 1/20 0.51

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
SCHEMBL5360060 0.92 HINT1 (0.62) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14559271 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19417780 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL22268191 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19173745 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19204426 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL25706471 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL784543 0.91 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19884479 0.90 HINT1 (0.66) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5960180 0.90 HPGD (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14

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 HINT1 208/4885NT5E 27/4885GSK3A 1569/4885
US-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity AHR, MSR1, ALOX15 HINT1 3642/4885NT5E 3753/4885GSK3A 1315/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 HINT1 211/4885NT5E 18/4885GSK3A 2323/4885

“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.

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