SCHEMBL19050050

SCHEMBL19050050

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.41
▸ ADK P55263 1/20 0.38
▸ PNP P00491 2/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ DOT1L Q8TEK3 2/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ DNMT1 P26358 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ HINT1 P49773 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31

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
SCHEMBL19050067 0.88 STING1 (0.38) STING1ADKTLR7HINT1NT5E
SCHEMBL19049899 0.84 STING1 (0.44) STING1ADKPNPTLR7HINT1
SCHEMBL19049956 0.82 HINT1 (0.36) STING1PNPTLR7HINT1NT5E
SCHEMBL1737182 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL16198949 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL12154731 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL1740288 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL6729944 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL12150656 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1
SCHEMBL6727042 0.78 PNP (0.54) ADKPNPTLR7DOT1LDNMT1

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 592/4885PNP 13/4885

“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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