Sugi Predict

Sugi Predict / Compounds / SCHEMBL5354417

SCHEMBL5354417

SCHEMBL5354417

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CCl)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.64
▸ ADORA3 P0DMS8 7/20 0.64
▸ ADORA2B P29275 5/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HIF1A Q16665 1/20 0.55

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
SCHEMBL5357901 0.91 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2298199 0.85 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL2298201 0.85 ADORA2A (0.84) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL24146799 0.80 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL25757130 0.80 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL25756700 0.80 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL25756766 0.80 PI4KA (0.66) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5736214 0.78 ADORA2A (0.86) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5359028 0.78 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6939834 0.78 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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 4 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

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