SCHEMBL16675967

SCHEMBL16675967

CC(C)(C)N/C(=N/C(=O)Cc1ccc(O)cc1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.36
CDK2 P24941 3/20 0.35
CDK1 P06493 2/20 0.35
FLT4 P35916 2/20 0.35
MAPK8 P45983 2/20 0.35
CLK2 P49760 2/20 0.35
CDK5 Q00535 2/20 0.35
DYRK1A Q13627 2/20 0.35
TAOK1 Q7L7X3 2/20 0.35
SLK Q9H2G2 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAPK9 P45984 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL16675960 0.80 MAPK1 (0.35) GSK3BCDK2CDK1FLT4MAPK8
SCHEMBL19976801 0.77 TRPA1 (0.37) GSK3BCDK2CDK1FLT4MAPK8
SCHEMBL16675939 0.73 CDK2 (0.39) GSK3BCDK2CDK1MAPK8CLK2
SCHEMBL19976804 0.69 TRPA1 (0.37) GSK3BCDK2CDK1FLT4MAPK8
SCHEMBL16675969 0.68 TRPA1 (0.37) ANO1MAPK1
SCHEMBL16675928 0.67 NPC1 (0.39) CDK2PLK4ANO1
SCHEMBL16675959 0.66 GSK3B (0.48) GSK3BCDK2PIM1MET
SCHEMBL19976747 0.66 GSK3B (0.45) GSK3BCDK2PIM1MAPK1
SCHEMBL16682182 0.65 CACNA1H (0.41) CDK2ANO1
SCHEMBL16675940 0.64 APOL1 (0.39) GSK3BCDK2CDK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C GSK3B 4407/4885CDK2 3048/4885CDK1 2777/4885

“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.