SCHEMBL229169

SCHEMBL229169

FC(F)CNCc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL502303 0.88 GAA (0.50) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL15926086 0.87 KDM4E (0.49) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL28513088 0.83 GAA (0.41) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL28515919 0.83 GAA (0.41) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL9279836 0.83 GAA (0.63) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL27977498 0.83 KDM4E (0.51) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL9316397 0.83 GAA (0.51) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL14044150 0.80 GAA (0.56) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL6317403 0.80 KDM4E (0.49) GAAKDM4EMAPTL3MBTL1OXTR
SCHEMBL7999050 0.80 KDM4E (0.49) GAAKDM4EMAPTL3MBTL1OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119747-B1 METHOD FOR THE PREPARATION OF N- [(6-CHLOROPYRIDIN-3-YL) METHYL] -2,2-DIFLUORETHAN-1-AMINE BY ALKYLATION OF 2,2-DIFLUORETHYLAMINE BAYER CROPSCIENCE AG (DE) 2018-08-29 EP claimed
US-9890120-B2 Preparation of N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethan-1-amine by alkylation of 2,2-difluoroethylamine BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-13 US claimed
US-20170081284-A1 Preparation of N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethan-1-amine by alkylation of 2,2-difluoroethylamine BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-23 US claimed
EP-3119747-A1 METHOD FOR THE PREPARATION OF N-[(6-CHLOROPYRIDINO-3-YL)METHYL]-2,2-DIFLUOROETHANE-1-AMINE BY THE ALKYLATION OF 2,2-DIFLUOROETHYLAMINE Bayer CropScience Aktiengesellschaft (DE) 2017-01-25 EP claimed
EP-2867208-B1 PROCESS FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES BY ALKYLATING 2,2-DIFLUOROETHYLAMINE BAYER CROPSCIENCE AG (DE) 2016-08-24 EP claimed
US-9376389-B2 Process for preparing 2,2-difluoroethylamine derivatives by alkylating 2,2-difluoroethylamine BAYER CROPSCIENCE AG (DE) 2016-06-28 US claimed
US-20150322011-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES BY ALKYLATING 2,2-DIFLUOROETHYLAMINE BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
WO-2015140198-A1 METHOD FOR THE PREPARATION OF N-[(6-CHLOROPYRIDINO-3-YL)METHYL]-2,2-DIFLUOROETHANE-1-AMINE BY THE ALKYLATION OF 2,2-DIFLUOROETHYLAMINE BAYER CROPSCIENCE AG (DE) 2015-09-24 WO claimed
US-8546577-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-01 US claimed
US-20130123506-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-16 US claimed
US-8404855-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-03-26 US claimed
US-8344151-B2 Process for the preparation of 4-aminobut-2-enolides starting from 4-alkoxyfuran-2(5H)-one or 4-arylalkoxyfuran-2(5H)-one BAYER CROPSCIENCE AG (DE) 2013-01-01 US claimed
US-20120157498-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2012-06-21 US claimed
CN-117843559-A Method for synthesizing chloronicotinyl pesticide intermediate by using multistage series circulation tubular continuous reactor 沈阳化工研究院有限公司 2024-04-09 CN disclosed
EP-3119747-B1 METHOD FOR THE PREPARATION OF N- [(6-CHLOROPYRIDIN-3-YL) METHYL] -2,2-DIFLUORETHAN-1-AMINE BY ALKYLATION OF 2,2-DIFLUORETHYLAMINE BAYER CROPSCIENCE AG (DE) 2018-08-29 EP disclosed
US-9890120-B2 Preparation of N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethan-1-amine by alkylation of 2,2-difluoroethylamine BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-13 US disclosed
EP-2004635-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2008009360-A2 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-24 WO disclosed
WO-2007115644-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115644-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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 (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-20120157498-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 GAA 1096/4885KDM4E 613/4885MAPT 3915/4885
US-20170081284-A1 Preparation of N-[(6-chloropyridin-3-yl)methyl]-2,2-difluoroethan-1-amine by alkylation of 2,2-difluoroethylamine DNMT1, AFF1, AFF2 GAA 924/4885KDM4E 146/4885MAPT 3773/4885
US-20150322011-A1 PROCESS FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES BY ALKYLATING 2,2-DIFLUOROETHYLAMINE FANCD2, FANCI, FANCF GAA 705/4885KDM4E 1215/4885MAPT 4276/4885
US-20130123506-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 GAA 1096/4885KDM4E 613/4885MAPT 3915/4885

“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.