SCHEMBL22326782

SCHEMBL22326782

C[C@@H](CO)O[C@H]([C@H](O)F)n1cnc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.53
ADORA2B P29275 2/20 0.53
ADORA1 P30542 2/20 0.53
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
AHCY P23526 3/20 0.52
ADA P00813 4/20 0.51
PDE2A O00408 3/20 0.51
CYP3A4 P08684 2/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL24254534 0.81 ADORA2A (0.53) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL17641488 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL14313788 0.81 ADORA2A (0.56) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13975121 0.77 AHCY (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL17641487 0.77 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24860314 0.76 ADORA2A (0.75) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL11251758 0.76 ADORA2A (0.75) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL23982229 0.76 ADORA2A (0.53) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL18461199 0.76 ADORA2A (0.53) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13770668 0.76 ADORA2A (0.56) ADORA2AADORA2BADORA1PI4KAPI4K2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ADORA2A 72/4885ADORA2B 150/4885ADORA1 36/4885

“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.