SCHEMBL783971

SCHEMBL783971

CCC(CNC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6026553 0.85 MAPK1 (0.55) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL784096 0.84 MAPK1 (0.52) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL30450076 0.78 LMNA (0.45) MAPK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL28350965 0.78 LMNA (0.45) MAPK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL30450029 0.78 LMNA (0.45) MAPK1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL20965348 0.78 MAPK1 (0.55) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4418285 0.77 MAPK1 (0.47) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL31704902 0.77 CYP1A2 (0.50) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL784072 0.76 LMNA (0.45) MAPK1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL14932545 0.75 MAPK1 (0.45) MAPK1KMT2AMEN1CYP1A2CYP3A4

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 14 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
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
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
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.