SCHEMBL13868035

SCHEMBL13868035

CCC(C)(CC)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL21652322 0.90 GAA (0.35) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL12060404 0.86 GAA (0.38) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL26386945 0.85 CNR2 (0.33) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL21721431 0.81 GAA (0.34) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL802249 0.81 GAA (0.39) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL22067477 0.78 GAA (0.37) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL14052226 0.75
SCHEMBL13868030 0.74
SCHEMBL26275972 0.73 GAA (0.36) GAALMNAPOLBCYP2C19CYP3A4
SCHEMBL24987695 0.72 GAA (0.35) GAALMNAPOLBCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-8318777-B2 2-pyridinylethylcarboxamide derivatives and their use as fungicides BAYER SAS (FR) 2012-11-27 US disclosed
US-20090088456-A1 2-Pyridinylethylcarboxamide derivatives and their use as Fugicides BAYER CROPSCIENCE S.A. 2009-04-02 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-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2007-05-24 US 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 (2 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 GAA 83/4885LMNA 1673/4885POLB 2167/4885
US-20070117845-A1 2-Pyridinylethylcarboxamide derivatives and their use as fungicides CYP1A2, PNPO, PFAS GAA 114/4885LMNA 2270/4885POLB 4158/4885

“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.