SCHEMBL1832987

SCHEMBL1832987

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(C(C)(C)C)n2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.35
KLK1 P06870 2/20 0.35
F11 P03951 3/20 0.34
AGTR2 P50052 3/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL1834968 0.84 F11 (0.34) KLKB1KLK1F11
SCHEMBL1836701 0.83 PDE4A (0.36) KLKB1KLK1F11AGTR2PDE4A
SCHEMBL1832735 0.82 F11 (0.33) KLKB1F11AGTR2PDE4APDE4B
SCHEMBL1833864 0.82 KCNH2 (0.34) KLKB1F11PDE4APDE4BPDE4C
SCHEMBL12402690 0.80 F11 (0.32) F11
SCHEMBL2161978 0.80 SKP2 (0.38) KLKB1AGTR2PDE4APDE4BPDE4C
SCHEMBL2161475 0.76 KLKB1 (0.39) KLKB1KLK1
SCHEMBL2161366 0.74 KLKB1 (0.40) KLKB1KLK1
SCHEMBL13616210 0.73 KLKB1 (0.41) KLKB1KLK1
SCHEMBL2162268 0.73 SKP2 (0.36) KLKB1AGTR2

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 5 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
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
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 KLKB1 4858/4885KLK1 4844/4885F11 3568/4885

“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.