SCHEMBL2161978

SCHEMBL2161978

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.38
PTGER4 P35408 2/20 0.37
S100B P04271 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
AGTR2 P50052 3/20 0.34
KLKB1 P03952 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AR P10275 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL2162268 0.90 SKP2 (0.36) SKP2PTGER4S100BAGTR2KLKB1
SCHEMBL1832987 0.80 KLKB1 (0.35) PDE4APDE4BPDE4CPDE4DAGTR2
SCHEMBL1836701 0.78 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DAGTR2
SCHEMBL1832735 0.77 F11 (0.33) SKP2PDE4APDE4BPDE4CPDE4D
SCHEMBL1833864 0.76 KCNH2 (0.34) PDE4APDE4BPDE4CPDE4DKLKB1
SCHEMBL1836406 0.76 ADORA3 (0.39) SKP2S100BPDE4APDE4BPDE4C
SCHEMBL12402690 0.75 F11 (0.32)
SCHEMBL2161366 0.75 KLKB1 (0.40) SKP2KLKB1ALDH1A1KMT2AKDM4E
SCHEMBL1832384 0.75 ADORA3 (0.38) SKP2S100BPDE4APDE4BPDE4C
SCHEMBL13616210 0.74 KLKB1 (0.41) SKP2KLKB1

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 2201/4885PTGER4 2569/4885S100B 3450/4885

“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.