SCHEMBL1833142

SCHEMBL1833142

CCOC(=O)c1cn(Cc2ccc(N)c(C)c2)nc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.57
KLKB1 P03952 15/20 0.47
KLK1 P06870 2/20 0.47
KDM4E B2RXH2 1/20 0.44
DGAT1 O75907 1/20 0.43
IDO1 P14902 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
SCHEMBL1833676 0.86 KLKB1 (0.49) GRM2KLKB1KLK1
SCHEMBL2161468 0.84 KLKB1 (0.52) KLKB1KLK1
SCHEMBL1832027 0.84 GRM2 (0.52) GRM2KLKB1KLK1DGAT1
SCHEMBL1843900 0.83 KLKB1 (0.54) KLKB1KLK1
SCHEMBL1842623 0.83 GRM2 (0.42) GRM2KLKB1KLK1DGAT1
SCHEMBL16246817 0.83 GRM2 (0.54) GRM2KLKB1DGAT1
SCHEMBL18617480 0.82 DGAT1 (0.59) GRM2KLKB1KDM4EDGAT1
SCHEMBL1049941 0.81 GAA (0.56) GRM2KLKB1KDM4EDGAT1
SCHEMBL2162121 0.81 KLKB1 (0.56) KLKB1KLK1
SCHEMBL2161062 0.81 KLKB1 (0.51) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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 (1 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 GRM2 3280/4885KLKB1 4858/4885KLK1 4844/4885

“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.