SCHEMBL18207249

SCHEMBL18207249

CSc1nc(Cl)c(N)c(NCc2cccnc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.60
PPARG P37231 2/20 0.53
PDE10A Q9Y233 1/20 0.48
PLAU P00749 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
PGK1 P00558 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
RAD52 P43351 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LTA4H P09960 1/20 0.43
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL18207388 0.85 CA1 (0.50) KDM4CPPARGPDE10APLAUCA1
SCHEMBL18207541 0.81 TLR7 (0.52) KDM4CPPARGPDE10ACA1CA2
SCHEMBL18207315 0.77 TLR7 (0.55) PPARGCA1CA2CA7CA13
SCHEMBL18207415 0.77 PPARG (0.51) PPARGPLAUCA1CA2CA7
SCHEMBL17802555 0.76 KDM4C (1.00) KDM4CPLAUMEN1KMT2AALDH1A1
SCHEMBL14914628 0.73 HTT (0.65) KDM4CPPARGMEN1KMT2APKM
SCHEMBL14914225 0.73 PPARG (0.53) KDM4CPPARGCA1CA2CA7
SCHEMBL21274191 0.72 CA1 (0.39) PPARGPDE10ACA1CA2CA7
SCHEMBL18207827 0.72 SRC (0.50) PPARGPDE10APLAU
SCHEMBL18207581 0.71 TLR7 (0.42) KDM4CPPARGPDE10ACA1CA2

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 21 patents — showing the first 20. 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
CN-107580596-A For treating and preventing the new sulphur imido acyl group purinone compound and derivative of virus infection 豪夫迈·罗氏有限公司 2018-01-12 CN 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
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
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 KDM4C 1747/4885PPARG 4682/4885PDE10A 4349/4885
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 KDM4C 1747/4885PPARG 4682/4885PDE10A 4349/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 KDM4C 1497/4885PPARG 4687/4885PDE10A 2414/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 KDM4C 1497/4885PPARG 4687/4885PDE10A 2414/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 KDM4C 1137/4885PPARG 4617/4885PDE10A 2813/4885

“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.