SCHEMBL18207673

SCHEMBL18207673

Nc1nc(S)nc2c1[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.67
TLR8 Q9NR97 1/20 0.66
TRAP1 Q12931 2/20 0.53
HSP90B1 P14625 1/20 0.53
NUDT1 P36639 1/20 0.51

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
SCHEMBL29488793 1.00 TLR7 (0.67) TLR7TLR8TRAP1HSP90B1NUDT1
SCHEMBL18207658 0.89 TLR7 (0.74) TLR7NUDT1
SCHEMBL18207342 0.88 TLR7 (0.63) TLR7TLR8TRAP1NUDT1
SCHEMBL18207604 0.88 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL19924997 0.88 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL29488791 0.88 TLR7 (0.68) TLR7TLR8NUDT1
SCHEMBL18207516 0.87 TLR7 (0.66) TLR7TLR8TRAP1HSP90B1NUDT1
SCHEMBL18207505 0.85 TLR7 (0.71) TLR7TLR8NUDT1
SCHEMBL18207308 0.83 TLR7 (0.65) TLR7TLR8NUDT1
Propane SCHEMBL28422715 0.82 TLR7 (0.67) TLR7TLR8TRAP1HSP90B1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN disclosed
US-11337982-B2 Combined treatment with a TLR7 agonist and an HBV capsid assembly inhibitor HOFFMANN-LA ROCHE, INC. (US) 2022-05-24 US disclosed
US-11337982-B2 Combined treatment with a TLR7 agonist and an HBV capsid assembly inhibitor HOFFMANN-LA ROCHE, INC. (US) 2022-05-24 US disclosed
EP-3970750-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed
EP-3970750-A1 COMBINED TREATMENT WITH A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR F. Hoffmann-La Roche AG (CH) 2022-03-23 EP disclosed
CN-109715214-B Combination therapy of a TLR7 agonist and an HBV capsid assembly inhibitor 豪夫迈·罗氏有限公司 2022-03-04 CN disclosed
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-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 WO disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 WO 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 (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 TLR7 259/4885TLR8 2038/4885TRAP1 4132/4885
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 TLR7 259/4885TLR8 2038/4885TRAP1 4132/4885
US-11337982-B2 Combined treatment with a TLR7 agonist and an HBV capsid assembly inhibitor TLR7, TLR9, HAVCR2 TLR7 1/4885TLR8 9/4885TRAP1 1622/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 TLR7 2510/4885TLR8 4670/4885TRAP1 3291/4885

“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.