SCHEMBL784477

SCHEMBL784477

CC(=O)NC(CNC(=O)c1sccc1I)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KMT2A Q03164 6/20 0.42
GAA P10253 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 5/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16927681 0.80 MAPK1 (0.53) MAPK1KMT2AGAAPKMMEN1
SCHEMBL4552882 0.79 MAPK1 (0.45) MAPK1KMT2AGAAMEN1POLB
SCHEMBL784096 0.77 MAPK1 (0.52) MAPK1KMT2AGAAPKMMEN1
SCHEMBL784585 0.74 GAA (0.49) MAPK1KMT2AGAAPKMMEN1
SCHEMBL6017281 0.74 MAPT (0.52) KMT2AGAAPKMMEN1POLB
SCHEMBL783415 0.73 GAA (0.46) KMT2AGAAPKMMEN1POLB
Trifluoroacetic Acid SCHEMBL784209 0.71 MAPK1 (0.52) MAPK1KMT2AGAAPKMMEN1
SCHEMBL6017269 0.70 P2RX7 (0.45) KMT2AGAAPKMMEN1POLB
SCHEMBL6017267 0.70 GAA (0.41) MAPK1KMT2AGAAPKMMEN1
SCHEMBL783927 0.66 MAPK1 (0.56) MAPK1KMT2AGAAPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1694649-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-08-30 EP 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 (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-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides PFAS, CYP4F2, FPGS MAPK1 4147/4885KMT2A 1855/4885GAA 83/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS MAPK1 3144/4885KMT2A 937/4885GAA 114/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 MAPK1 3109/4885KMT2A 817/4885GAA 230/4885

“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.