SCHEMBL22326774

SCHEMBL22326774

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCOP(=O)(S)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ DPP4 P27487 1/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ SLC28A1 O00337 1/20 0.65
▸ MAP3K7 O43318 1/20 0.65
▸ SLC28A2 O43868 1/20 0.65
▸ GAPDH P04406 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ ADORA2A P29274 1/20 0.65
▸ ADORA2B P29275 1/20 0.65
▸ STAT6 P42226 1/20 0.65
▸ PI4KA P42356 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ PI4K2B Q8TCG2 1/20 0.65
▸ DOT1L Q8TEK3 1/20 0.65
▸ SLC29A1 Q99808 1/20 0.65
▸ PI4K2A Q9BTU6 1/20 0.65
▸ SLC28A3 Q9HAS3 1/20 0.65

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
SCHEMBL22326769 0.92 RNASEL (0.73) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
SCHEMBL13020487 0.92 RNASEL (0.73) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
SCHEMBL12963654 0.85 RNASEL (0.69) ADORA1SMN1; SMN2RNASELP2RY1DNPH1
SCHEMBL24113798 0.84 RNASEL (0.88) RNASEL
SCHEMBL21127983 0.84 RNASEL (0.88) RNASEL
SCHEMBL13020760 0.84 RNASEL (0.88) RNASEL
Adenosine SCHEMBL4814341 0.84 ADORA1 (0.85) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
SCHEMBL22326736 0.83 RNASEL (0.62) ADORA1SMN1; SMN2RNASELP2RY1DNPH1
SCHEMBL7103176 0.83 ADORA1 (1.00) ADORA1SMN1; SMN2DPP4MEN1SLC28A1
SCHEMBL17369507 0.83 P2RY1 (0.81) ADORA1SMN1; SMN2DPP4MEN1SLC28A1

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 ADORA1 36/4885SMN1; SMN2 3150/4885DPP4 3480/4885

“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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