SCHEMBL784072

SCHEMBL784072

CCC(CNC(=O)c1cn(C)nc1C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DGAT1 O75907 5/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL4418285 0.80 MAPK1 (0.47) LMNAPOLBMAPK1KMT2AMEN1
SCHEMBL6026553 0.80 MAPK1 (0.55) LMNAPOLBMAPK1KMT2AMEN1
SCHEMBL1122259 0.78 MAPT (0.52) LMNAPOLBKMT2AMEN1CYP1A2
SCHEMBL784584 0.78 POLB (0.48) LMNAPOLBMAPK1KMT2AMEN1
SCHEMBL783971 0.76 MAPK1 (0.53) LMNAPOLBMAPK1KMT2AMEN1
SCHEMBL20965348 0.73 MAPK1 (0.55) LMNAMAPK1KMT2AMEN1CYP1A2
SCHEMBL3573462 0.70 LMNA (0.56) LMNAPOLBGAADGAT1
SCHEMBL18335080 0.70 NPC1 (0.39) LMNAPOLB
SCHEMBL18335120 0.70 MAPT (0.49) POLBMAPK1KMT2AMEN1CYP1A2
SCHEMBL783991 0.69 MAPK1 (0.50) LMNAPOLBMAPK1KMT2AMEN1

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 7 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-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 LMNA 1673/4885POLB 2167/4885MAPK1 4147/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS LMNA 2270/4885POLB 4158/4885MAPK1 3144/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 LMNA 2942/4885POLB 4528/4885MAPK1 3109/4885

“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.