SCHEMBL279947

SCHEMBL279947

CC(C)c1ncc(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.42
HCAR2 Q8TDS4 1/20 0.37
OGA O60502 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ICAM1 P05362 2/20 0.35
SELE P16581 2/20 0.35
F2 P00734 1/20 0.35
CDK5 Q00535 2/20 0.34
KDR P35968 2/20 0.34
GSK3B P49841 2/20 0.34
DAPK3 O43293 2/20 0.34
CSNK1A1 P48729 2/20 0.34
LIMK1 P53667 2/20 0.34
ROCK1 Q13464 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL27809784 0.84 HCAR2 (0.39) HCAR2CDK5CCNE1CDK2ALDH1A1
SCHEMBL1421575 0.82 HCAR2 (0.57) FFAR2HCAR2CDK5PRKAA1CCNE1
SCHEMBL1992630 0.81 FFAR2 (0.36) FFAR2HCAR2OGAHRH3ICAM1
SCHEMBL21448922 0.81 HCAR2 (0.37) FFAR2HCAR2CDK5CCNE1CDK2
SCHEMBL21401433 0.80 TP53 (0.43) OGAGSK3BLIMK1ROCK1CLK4
SCHEMBL25737787 0.78 MAPK14 (0.40) HCAR2OGACDK5CCNE1CDK2
SCHEMBL26702857 0.78 OGA (0.39) HCAR2OGAICAM1SELECDK5
SCHEMBL12272012 0.78 FFAR2 (0.45) FFAR2HCAR2HRH3CDK5KDR
SCHEMBL2753492 0.78 HCAR2 (0.35) HCAR2CDK5CDK8CCNE1CDK2
SCHEMBL22672606 0.77 ALDH1A1 (0.35) FFAR2HCAR2HRH3CDK5CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN claimed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
CN-109071526-B Acid addition salts of piperazine derivatives 阿森纽荣股份公司 2023-02-28 CN disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 US disclosed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 WO disclosed
CN-109071526-A The acid-addition salts of bridged piperazine derivatives 阿森纽荣股份公司 2018-12-21 CN disclosed
CN-107922374-A New catechol derivatives and the pharmaceutical composition containing it 自体吞噬科学有限公司 2018-04-17 CN disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-9079861-B2 Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-07-14 US disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 FFAR2 3172/4885HCAR2 2179/4885OGA 4103/4885
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 FFAR2 1017/4885HCAR2 1309/4885OGA 2568/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 FFAR2 1923/4885HCAR2 2374/4885OGA 2848/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 FFAR2 1288/4885HCAR2 789/4885OGA 3891/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E FFAR2 4150/4885HCAR2 4570/4885OGA 4584/4885

“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.