SCHEMBL21565169

SCHEMBL21565169

[N-]=[N+]=NCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.61
▸ CARM1 Q86X55 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ DOT1L Q8TEK3 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50
▸ SLC29A1 Q99808 2/20 0.50
▸ DPP4 P27487 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLC28A1 O00337 1/20 0.50
▸ MAP3K7 O43318 1/20 0.50
▸ SLC28A2 O43868 1/20 0.50
▸ GAPDH P04406 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ STAT6 P42226 1/20 0.50
▸ PI4KA P42356 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL19927503 0.92 AHCY (0.69) AHCYCARM1ALDH1A1HIF1ADOT1L
SCHEMBL19145745 0.86 ADORA3 (0.66) AHCYCARM1DOT1LADORA3SLC29A1
SCHEMBL19941881 0.85 AHCY (0.61) AHCYCARM1DOT1LADORA3SLC29A1
SCHEMBL8861594 0.82 DNPH1 (0.70) ALDH1A1ADORA1SMN1; SMN2
SCHEMBL8861547 0.79 P2RX3 (0.69) ALDH1A1SMN1; SMN2
SCHEMBL21565155 0.77 AHCY (0.53) AHCYCARM1ALDH1A1HIF1ADOT1L
SCHEMBL19927540 0.77 AHCY (0.53) AHCYCARM1ALDH1A1HIF1ADOT1L
SCHEMBL19942001 0.77 AHCY (0.63) AHCYALDH1A1HIF1ADOT1LADORA3
SCHEMBL6900816 0.77 ATM (0.76) AHCYCARM1DOT1LADORA3SLC29A1
SCHEMBL15371600 0.76 AHCY (1.00) AHCYALDH1A1HIF1ADOT1LADORA3

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 1727/4885CARM1 3440/4885ALDH1A1 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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