SCHEMBL5194258

SCHEMBL5194258

COc1ccc(/C(Cl)=C/C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.60
PDE4B Q07343 11/20 0.60
PDE4C Q08493 11/20 0.60
PDE4D Q08499 11/20 0.60
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TCF4 P15884 1/20 0.46

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
SCHEMBL5194254 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL5194266 1.00 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4619766 0.81 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16413553 0.81 NQO1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16413554 0.81 NQO1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16413555 0.81 NQO1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6606982 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6606983 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10667909 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10677326 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925193-B2 Thioether derivatives as protein kinase inhibitors PROQINASE GMBH (DE) 2018-03-27 US disclosed
US-9688653-B2 Ethoxyphenyl thienyl compounds and methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-06-27 US disclosed
US-9688653-B2 Ethoxyphenyl thienyl compounds and methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-06-27 US disclosed
US-20150328219-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS PROQINASE GMBH (DE) 2015-11-19 US disclosed
US-20150031658-A1 ETHOXYPHENYL THIENYL COMPOUNDS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV DUKE (US) 2015-01-29 US disclosed
US-20150031658-A1 ETHOXYPHENYL THIENYL COMPOUNDS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV DUKE (US) 2015-01-29 US disclosed
WO-2014079545-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2014-05-30 WO disclosed
EP-2733146-A1 Thioether derivatives as protein kinase inhibitors KTB Tumorforschungsgesellschaft mbH (DE) 2014-05-21 EP disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 PDE4A 234/4885PDE4B 263/4885PDE4C 294/4885
US-20150031658-A1 ETHOXYPHENYL THIENYL COMPOUNDS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS GGPS1, FDPS, FNTA PDE4A 1345/4885PDE4B 1486/4885PDE4C 1055/4885
US-20150328219-A1 THIOETHER DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K1, MAP3K6, MAP3K20 PDE4A 2257/4885PDE4B 3033/4885PDE4C 3050/4885

“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.