SCHEMBL19049899

SCHEMBL19049899

Cc1cn(C2O[C@@H]3C(O)[C@]3(O)[C@H]2O)c2nc(N)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.44
▸ ADK P55263 1/20 0.35
▸ TLR7 Q9NYK1 3/20 0.34
▸ PNP P00491 1/20 0.34
▸ HINT1 P49773 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL19050071 0.89 STING1 (0.41) STING1ADKTLR7PNPHINT1
SCHEMBL19049956 0.87 HINT1 (0.36) STING1TLR7PNPHINT1HPGD
SCHEMBL19050050 0.84 STING1 (0.41) STING1ADKTLR7PNPHINT1
SCHEMBL22968509 0.77 STING1 (0.52) STING1HINT1PDE3BPDE3AHPGD
SCHEMBL20154882 0.77 STING1 (0.52) STING1HINT1PDE3BPDE3AHPGD
SCHEMBL6731327 0.77 PNP (0.57) TLR7PNPHINT1HPGD
SCHEMBL12150660 0.77 PNP (0.57) TLR7PNPHINT1HPGD
SCHEMBL12746815 0.77 PNP (0.57) TLR7PNPHINT1HPGD
SCHEMBL1737452 0.77 PNP (0.57) TLR7PNPHINT1HPGD
SCHEMBL1738092 0.77 PNP (0.57) TLR7PNPHINT1HPGD

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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 STING1 503/4885ADK 592/4885TLR7 1758/4885

“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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