SCHEMBL2162268

SCHEMBL2162268

Cc1cc(Cn2cnc(C(F)(F)C(F)(F)F)n2)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.36
S100B P04271 1/20 0.34
KLKB1 P03952 4/20 0.33
AGTR2 P50052 3/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
PTGER4 P35408 1/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31

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
SCHEMBL2161978 0.90 SKP2 (0.38) SKP2S100BKLKB1AGTR2ALDH1A1
SCHEMBL2161783 0.78 ALDH1A1 (0.41) SKP2S100BKLKB1ALDH1A1TDP1
SCHEMBL1838061 0.77 SKP2 (0.36) SKP2S100BKLKB1ALDH1A1TDP1
SCHEMBL2161113 0.77 ADORA3 (0.38) SKP2S100BALDH1A1TDP1MEN1
SCHEMBL2161248 0.76 KLKB1 (0.37) SKP2KLKB1
SCHEMBL2161804 0.76 ADORA3 (0.37) SKP2S100BMEN1NPC1RAB9A
SCHEMBL1836900 0.76 SKP2 (0.35) SKP2S100BKLKB1ALDH1A1TDP1
SCHEMBL1853696 0.76 ADORA3 (0.37) SKP2S100BMEN1NPC1RAB9A
SCHEMBL2162346 0.76 ADORA3 (0.35) SKP2KLKB1ADORA3ADORA2AADORA2B
SCHEMBL2889785 0.75 MAPT (0.43) SKP2KLKB1ALDH1A1MEN1KMT2A

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 SKP2 2201/4885S100B 3450/4885KLKB1 4858/4885

“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.