SCHEMBL2162198

SCHEMBL2162198

Cc1cc(Cn2cc(C#N)c(C(F)(F)F)n2)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.38
KLK1 P06870 2/20 0.38
GRIA2 P42262 4/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A3 P11169 1/20 0.34
SLC2A4 P14672 1/20 0.34
SKP2 Q13309 1/20 0.34
NSD2 O96028 1/20 0.33
CACNA1H O95180 2/20 0.33
GRM2 Q14416 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL1836266 0.92 KLKB1 (0.34) KLKB1KLK1SLC2A1SLC2A3SLC2A4
SCHEMBL2161366 0.83 KLKB1 (0.40) KLKB1KLK1GRIA2SKP2GRM2
SCHEMBL13616210 0.81 KLKB1 (0.41) KLKB1KLK1SKP2
SCHEMBL2161475 0.81 KLKB1 (0.39) KLKB1KLK1GRIA2SKP2GRM2
SCHEMBL2161261 0.78 KLKB1 (0.33) KLKB1KLK1SKP2
SCHEMBL2161248 0.78 KLKB1 (0.37) KLKB1KLK1GRIA2SKP2GRM2
SCHEMBL2161862 0.77 KLKB1 (0.39) KLKB1KLK1GRIA2
SCHEMBL2161054 0.77 RORC (0.41) KLKB1KLK1GRIA2SKP2GRM2
SCHEMBL1833676 0.77 KLKB1 (0.49) KLKB1KLK1GRM2
SCHEMBL1838061 0.77 SKP2 (0.36) KLKB1KLK1GRIA2SKP2

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 1 patent. 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

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 4844/4885GRIA2 3485/4885

“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.