SCHEMBL784569

SCHEMBL784569

NCC(O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.48
PLAU P00749 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PNMT P11086 1/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL28824727 0.83 MAPK1 (0.50) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL29858300 0.83 MAPK1 (0.50) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL28409115 0.81 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL783991 0.79 MAPK1 (0.50) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL28895677 0.79 KMT2A (0.62) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL8889467 0.78 PLAU (0.41) MAPK1KMT2AMEN1PLAUL3MBTL1
SCHEMBL6017272 0.78 MAPK1 (0.52) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL14932571 0.78 KMT2A (0.50) MAPK1KMT2AMEN1ALDH1A1PKM
Hydrochloric Acid SCHEMBL783922 0.78 MAPK1 (0.49) MAPK1KMT2AMEN1ALDH1A1PKM
SCHEMBL10611673 0.76 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1PKM

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
EP-1694648-B1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER SAS (FR) 2015-07-29 EP disclosed
EP-1694649-B1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2014-01-22 EP disclosed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER SAS (FR) 2012-03-22 US disclosed
US-8071627-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2011-12-06 US disclosed
CN-1898210-B 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA 2011-03-30 CN disclosed
US-7560567-B2 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE S.A. (FR) 2009-07-14 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 US disclosed
CN-100471839-C 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2009-03-25 CN disclosed
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US disclosed
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives BAYER SAS (FR) 2007-05-03 US disclosed
CN-1898210-A 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
CN-1898207-A 2-pyridinylethylbenzamide derivatives BAYER CROPSCIENCE SA (FR) 2007-01-17 CN disclosed
EP-1694648-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
EP-1694649-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-08-30 EP disclosed
WO-2005058828-A1 2-PYRIDINYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE S.A. (FR) 2005-06-30 WO disclosed
WO-2005058833-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2005-06-30 WO disclosed
EP-1548007-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides Bayer CropScience S.A. (FR) 2005-06-29 EP 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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS MAPK1 4147/4885KMT2A 1855/4885MEN1 3558/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS MAPK1 3144/4885KMT2A 937/4885MEN1 1795/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 MAPK1 3109/4885KMT2A 817/4885MEN1 2328/4885
US-20070099965-A1 2-Pyridinylethylbenzamide derivatives CYP1A2, CYP4B1, CYP4F2 MAPK1 3077/4885KMT2A 1093/4885MEN1 1814/4885

“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.