SCHEMBL784584

SCHEMBL784584

Cn1cc(C(=O)NCC(C)(C)c2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CFTR P13569 1/20 0.40
DGAT1 O75907 2/20 0.39
KLKB1 P03952 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL1122259 0.81 MAPT (0.52) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL14921068 0.80 P2RX7 (0.47) POLBLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14920954 0.80 SMN1; SMN2 (0.49) POLBLMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15049063 0.79 MEN1 (0.45) POLBLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4425223 0.78 P2RX7 (0.46) POLBLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL784072 0.78 LMNA (0.45) POLBLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14932545 0.76 MAPK1 (0.45) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2889710 0.71 HCRTR1 (0.49) POLBLMNACNR1
SCHEMBL22847893 0.70 POLB (0.60) POLBLMNACNR1CNR2DGAT1
SCHEMBL15999656 0.69 P2RX7 (0.43) POLBLMNASMN1; SMN2P2RX7

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 POLB 2167/4885LMNA 1673/4885KMT2A 1855/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS POLB 4158/4885LMNA 2270/4885KMT2A 937/4885
US-20120071517-A1 2-PYRIDINYLETHYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP51A1, CYP3A5 POLB 4528/4885LMNA 2942/4885KMT2A 817/4885

“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.