SCHEMBL21565155

SCHEMBL21565155

CC(C)(C)[Si](C)(C)OC1[C@H](n2cnc3c(N)ncnc32)O[C@H](CN=[N+]=[N-])[C@H]1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.53
▸ ADORA1 P30542 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CARM1 Q86X55 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ DOT1L Q8TEK3 1/20 0.41

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
SCHEMBL19927540 1.00 AHCY (0.53) AHCYADORA1ALDH1A1HIF1ACARM1
SCHEMBL19146234 0.88 ADORA1 (0.51) AHCYADORA1DOT1L
SCHEMBL13986331 0.85 AHCY (0.64) AHCYADORA1ALDH1A1HIF1ADOT1L
SCHEMBL19927503 0.84 AHCY (0.69) AHCYADORA1ALDH1A1HIF1ACARM1
SCHEMBL19927404 0.82 AHCY (0.53) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL19927403 0.82 AHCY (0.53) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL20637781 0.80 ADORA1 (0.50) AHCYADORA1CARM1NT5EDOT1L
SCHEMBL20097048 0.78 AHCY (0.62) AHCYADORA1ALDH1A1HIF1AP2RY12
SCHEMBL19941882 0.78 ATM (0.48) AHCYADORA1CARM1P2RY12NT5E
SCHEMBL21565169 0.77 AHCY (0.61) AHCYADORA1ALDH1A1HIF1ACARM1

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-20190345191-A1 CYCLIC DINUCLEOTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH STING (STIMULATOR OF INTERFERON GENES) ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2019-11-14 — — 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-20190345191-A1 CYCLIC DINUCLEOTIDE ANALOGS FOR TREATING CONDITIONS ASSOCIATED WITH STING (STIMULATOR OF INTERFERON GENES) ACTIVITY STING1, CGAS, IRF3 AHCY 1727/4885ADORA1 410/4885ALDH1A1 4646/4885

“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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