SCHEMBL5362958

SCHEMBL5362958

CSC(O)[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
ADORA3 P0DMS8 6/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
CA5A P35218 1/20 0.54
DNMT1 P26358 1/20 0.54
DNMT3B Q9UBC3 1/20 0.54
AHCY P23526 3/20 0.51
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL3053788 0.88 NT5E (0.65) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL2047557 0.88 NT5E (0.65) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL23474154 0.87 NT5E (0.67) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL23474181 0.87 NT5E (0.67) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL10684436 0.87 NT5E (0.67) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL5362967 0.86 NT5E (0.65) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL101380 0.84 AHCY (0.62) LMNAHIF1AADORA3ADORA2AADORA2B
SCHEMBL3836258 0.82 CA5A (0.63) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL2406009 0.81 ADORA3 (0.74) NT5ELMNAHIF1AADORA3ADORA2A
SCHEMBL23884966 0.81 ADORA3 (0.74) NT5ELMNAHIF1AADORA3ADORA2A

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 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-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 (1 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 NT5E 27/4885LMNA 1971/4885HIF1A 1019/4885

“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.