SCHEMBL19378277

SCHEMBL19378277

CCCc1nc(N)c2c(n1)n(Cc1ccc(C)nc1)c(=O)n2S

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 14/20 0.43
▸ ADORA1 P30542 4/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ IL6 P05231 1/20 0.33

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
SCHEMBL19378167 0.87 TLR7 (0.37) TLR7GABRA1GABRA5ADORA3PARG
SCHEMBL19378204 0.85 TLR7 (0.44) TLR7ADORA1ADORA3
SCHEMBL22733691 0.84 ADORA3 (0.45) TLR7ADORA1ADORA3
SCHEMBL19378193 0.83 TLR7 (0.43) TLR7ADORA1ADORA3
SCHEMBL19378152 0.82 TLR7 (0.43) TLR7ADORA1
SCHEMBL19378349 0.82 TYMS (0.44) TLR7ADORA3
SCHEMBL19378275 0.82 TLR7 (0.39) TLR7ADORA1GABRA1GABRA5PARG
SCHEMBL19378119 0.79 TLR7 (0.40) TLR7ADORA3
SCHEMBL19378309 0.79 PDE1A (0.39) ADORA1ADORA3
SCHEMBL19378189 0.78 PDE4A (0.46) TLR7ADORA1ADORA3

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 3 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-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 (3 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 TLR7 259/4885ADORA1 3185/4885GABRA1 3804/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 TLR7 2425/4885ADORA1 3077/4885GABRA1 4041/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 TLR7 2510/4885ADORA1 3489/4885GABRA1 4290/4885

“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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