SCHEMBL5348325

SCHEMBL5348325

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC2CC2)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 1.00
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CA4 P22748 1/20 0.75
CA9 Q16790 1/20 0.75
ADORA2A P29274 2/20 0.69
ADORA1 P30542 2/20 0.69
ADORA2B P29275 1/20 0.69
NT5E P21589 3/20 0.66
P2RY1 P47900 5/20 0.64
P2RY11 Q96G91 3/20 0.64
DNMT1 P26358 1/20 0.61
SARS1 P49591 1/20 0.61
CD99 P14209 1/20 0.60
PDE2A O00408 1/20 0.59
ADRA1A P35348 1/20 0.59
PDE4D Q08499 1/20 0.59
PDE3A Q14432 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
SCHEMBL5348320 1.00 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL5355275 0.87 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL5355268 0.87 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL4451640 0.86 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL4451649 0.86 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL2489469 0.86 CA1 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL2489474 0.86 CA1 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL29737838 0.86 CA1 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL14201599 0.86 CA1 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL8605360 0.85 ADORA3 (0.74) ADORA3CA1CA2CA4CA9

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 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-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

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 2/4885CA1 4117/4885CA2 1681/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885CA1 4122/4885CA2 2060/4885

“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.