SCHEMBL19378189

SCHEMBL19378189

CCCCc1nc(N)c2c(n1)n(Cc1ccccc1)c(=O)n2S

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ TLR7 Q9NYK1 14/20 0.46
▸ ADORA3 P0DMS8 3/20 0.44
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42

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
SCHEMBL22733691 0.93 ADORA3 (0.45) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL19378232 0.89 ADORA3 (0.44) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL19378234 0.81 TLR7 (0.58) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL28426053 0.81 ADORA3 (0.40) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL19378209 0.81 ADORA3 (0.44) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL19378166 0.81 TLR7 (0.42) TLR7
SCHEMBL19378160 0.81 ADORA3 (0.48) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL19378193 0.81 TLR7 (0.43) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL19378349 0.80 TYMS (0.44) TLR7ADORA3
SCHEMBL19378383 0.79 TLR7 (0.44) TLR7ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 — — US disclosed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 — — US disclosed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 — — US disclosed
US-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2017-09-28 — — 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 (4 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-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 PDE4A 3508/4885PDE4B 3777/4885PDE4C 3946/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 PDE4A 2566/4885PDE4B 2616/4885PDE4C 2551/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 PDE4A 2566/4885PDE4B 2616/4885PDE4C 2551/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 PDE4A 2503/4885PDE4B 2593/4885PDE4C 2640/4885

“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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