SCHEMBL16675947

SCHEMBL16675947

CC(C)(O)CN/C(=N/C(=O)Cc1ccccc1)Nc1n[nH]c2cc(F)c(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.44
CDK2 P24941 6/20 0.44
CDK1 P06493 1/20 0.44
CYP1A2 P05177 2/20 0.41
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
RET P07949 1/20 0.37
PIM1 P11309 1/20 0.37
GRK5 P34947 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
PRKX P51817 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL16675941 0.79 GSK3B (0.48) GSK3BCDK2CDK1CYP1A2
SCHEMBL16675959 0.79 GSK3B (0.48) GSK3BCDK2PIM1GSK3A
SCHEMBL16682172 0.79 GSK3B (0.47) GSK3BDYRK1AMAPK1
SCHEMBL16675907 0.74 CDK2 (0.46) CDK2RETCDK7
SCHEMBL16682120 0.73 NPY5R (0.38) CDK2RETCDK9CDK5MAPK1
SCHEMBL16752836 0.71 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK1
SCHEMBL16675937 0.71 GSK3B (0.51) GSK3BCDK2CDK1
SCHEMBL16752833 0.71 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK1
SCHEMBL16769264 0.71 HDAC6 (0.45) GSK3BCYP1A2MAPK8MAPK1
SCHEMBL19976787 0.71 HDAC6 (0.43) GSK3BCYP1A2MAPK8GSK3A

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.