SCHEMBL5358658

SCHEMBL5358658

CC(C)SC[C@H]1O[C@@H](n2cnc3c(N)nc(NN)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.77
▸ ADORA2A P29274 9/20 0.75
▸ ADORA2B P29275 2/20 0.72
▸ NT5E P21589 1/20 0.59
▸ CYP1A2 P05177 1/20 0.56
▸ THPO P40225 1/20 0.56

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
SCHEMBL5358677 1.00 ADORA3 (0.77) ADORA3ADORA2AADORA2BNT5ECYP1A2
SCHEMBL5351524 0.89 ADORA2A (0.77) ADORA3ADORA2AADORA2BNT5ECYP1A2
SCHEMBL5351501 0.89 ADORA2A (0.77) ADORA3ADORA2AADORA2BNT5ECYP1A2
SCHEMBL5350420 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA2BNT5E
SCHEMBL5350425 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA2BNT5E
SCHEMBL5355770 0.87 ADORA3 (0.76) ADORA3ADORA2AADORA2BNT5E
SCHEMBL5355789 0.87 ADORA3 (0.76) ADORA3ADORA2AADORA2BNT5E
SCHEMBL19843951 0.85 ADORA2A (0.81) ADORA3ADORA2AADORA2BNT5ECYP1A2
SCHEMBL5360523 0.85 ADORA3 (0.79) ADORA3ADORA2AADORA2B
SCHEMBL5360515 0.85 ADORA3 (0.79) ADORA3ADORA2AADORA2B

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 6 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-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 (2 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 2/4885ADORA2A 1/4885ADORA2B 4/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA2B 4/4885

“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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