SCHEMBL21614182

SCHEMBL21614182

[N-]=[N+]=NC1(CO)OC(n2cnc3c(N)nc(F)nc32)CC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.48
▸ LMNA P02545 2/20 0.46
▸ NT5E P21589 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CA5A P35218 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ DNMT1 P26358 1/20 0.36
▸ DNMT3B Q9UBC3 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36

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
SCHEMBL24695428 0.85 AHCY (0.50) AHCYHIF1ATP53ADORA3ADORA2A
SCHEMBL15643110 0.85 AHCY (0.50) AHCYHIF1ATP53ADORA3ADORA2A
SCHEMBL21614180 0.82 NT5E (0.52) AHCYLMNANT5EHIF1ACA5A
SCHEMBL25396825 0.82 AHCY (0.55) AHCYLMNANT5EHIF1ACA5A
SCHEMBL15643129 0.81 ADORA3 (0.50) NT5EPNPPDE3AADORA3
SCHEMBL20670946 0.81 AHCY (0.54) AHCYLMNANT5EHIF1ACA5A
SCHEMBL21614181 0.81 AHCY (0.54) AHCYLMNANT5EHIF1ACA5A
SCHEMBL24195283 0.81 AHCY (0.54) AHCYLMNANT5EHIF1ACA5A
SCHEMBL31652941 0.81 AHCY (0.54) AHCYLMNANT5EHIF1ACA5A
SCHEMBL30689530 0.81 AHCY (0.54) AHCYLMNANT5EHIF1ACA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151048-A1 CRYSTAL FORM, PREPARATION METHOD, AND APPLICATION OF 4′-SUBSTITUTED NUCLEOSIDE HENAN GENUINE BIOTECH CO., LTD. (CN) 2023-05-18 — — US disclosed
WO-2020007070-A1 CRYSTAL FORM, PREPARATION METHOD, AND APPLICATION OF 4'-SUBSTITUTED NUCLEOSIDE 河南真实生物科技有限公司 2020-01-09 — — WO 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-20230151048-A1 CRYSTAL FORM, PREPARATION METHOD, AND APPLICATION OF 4′-SUBSTITUTED NUCLEOSIDE PNP, CCR5, CD4 AHCY 1327/4885LMNA 2268/4885NT5E 112/4885

“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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