SCHEMBL18207366

SCHEMBL18207366

CCCSc1nc(NCC)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.55
TLR9 Q9NR96 1/20 0.44
ADORA1 P30542 1/20 0.41
IL6 P05231 2/20 0.40

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
SCHEMBL18207480 0.88 TLR7 (0.49) TLR7IL6
SCHEMBL18207328 0.87 USP28 (0.48) TLR7TLR9
SCHEMBL18207656 0.87 MEN1 (0.48) TLR7TLR9
SCHEMBL18207571 0.85 TLR7 (0.65) TLR7ADORA1IL6
SCHEMBL18207504 0.85 TLR7 (0.52) TLR7ADORA1IL6
SCHEMBL28430101 0.84 TLR7 (0.52) TLR7IL6
SCHEMBL18207442 0.81 PDE5A (0.44) TLR7TLR9IL6
SCHEMBL18207395 0.80 TLR9 (0.51) TLR7TLR9
SCHEMBL18207566 0.80 TLR7 (0.54) TLR7ADORA1IL6
SCHEMBL18207462 0.79 TLR7 (0.77) TLR7

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 17 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-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US disclosed
CN-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN disclosed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US disclosed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3294740-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-03-21 EP 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
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
US-9708325-B2 Sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-9708325-B2 Sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
WO-2016180695-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO disclosed
WO-2016180695-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO disclosed
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 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 (5 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 259/4885TLR9 775/4885ADORA1 3185/4885
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 TLR7 259/4885TLR9 775/4885ADORA1 3185/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 TLR7 2425/4885TLR9 3958/4885ADORA1 3077/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 TLR7 2425/4885TLR9 3958/4885ADORA1 3077/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 TLR7 2510/4885TLR9 4109/4885ADORA1 3489/4885

“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.