SCHEMBL16675952

SCHEMBL16675952

CCOCCN/C(=N/C(=O)CC1CCC1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.35
CDK2 P24941 3/20 0.34
GSK3B P49841 3/20 0.34
FLT4 P35916 2/20 0.34
MAPK8 P45983 2/20 0.34
CLK2 P49760 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
TAOK1 Q7L7X3 2/20 0.34
SLK Q9H2G2 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CDK1 P06493 2/20 0.34
AURKB Q96GD4 2/20 0.34
LIMK1 P53667 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34

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 0.83 MAPK1 (0.35) MAPK1CDK2GSK3BFLT4MAPK8
SCHEMBL19976768 0.80 MAPK1 (0.38) MAPK1CDK2GSK3BFLT4MAPK8
SCHEMBL19976805 0.77 ALDH1A1 (0.36) MAPK1CDK2GSK3BFLT4MAPK8
SCHEMBL19976782 0.72 MAPK1 (0.36) MAPK1GSK3BKDM4EHPGDEGFR
SCHEMBL19976731 0.68 MAPK1 (0.42) MAPK1CDK2GSK3BFLT4MAPK8
SCHEMBL19976741 0.65 MAPK1 (0.44) MAPK1GSK3BMAPK8GSK3A
SCHEMBL19976858 0.65 MAPK1 (0.46) MAPK1GSK3B
SCHEMBL19976764 0.64 GSK3B (0.48) MAPK1GSK3B
SCHEMBL16675967 0.64 GSK3B (0.36) MAPK1CDK2GSK3BFLT4MAPK8
SCHEMBL16675956 0.63 MAPK1 (0.39) MAPK1CDK2DYRK1AALDH1A1

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 MAPK1 3291/4885CDK2 3048/4885GSK3B 4407/4885

“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.