SCHEMBL16675939

SCHEMBL16675939

O=C(Cc1ccccc1)/N=C(/Nc1cc(F)cc(Cl)c1)Nc1n[nH]c2c(F)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.39
GSK3B P49841 4/20 0.39
CDK1 P06493 2/20 0.39
CYP2D6 P10635 1/20 0.38
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
MAPK8 P45983 3/20 0.36
CDC7 O00311 2/20 0.36
DAPK3 O43293 2/20 0.36
MAP4K4 O95819 2/20 0.36
PAK4 O96013 2/20 0.36
RET P07949 2/20 0.36
MAPK9 P45984 2/20 0.36
CSNK1A1 P48729 2/20 0.36
CLK2 P49760 2/20 0.36
CDK7 P50613 2/20 0.36
CDK9 P50750 2/20 0.36
PRKX P51817 2/20 0.36
CDK5 Q00535 2/20 0.36
PRKAA1 Q13131 2/20 0.36

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
SCHEMBL16675917 0.78 NPY5R (0.43) CDK2GSK3BCYP2D6AURKAMAPK8
SCHEMBL16682180 0.77 CYP2D6 (0.51) CDK2CYP2D6MAPK14PLK4NPY5R
SCHEMBL16675967 0.73 GSK3B (0.36) CDK2GSK3BCDK1MAPK8DAPK3
SCHEMBL30142390 0.73 FLT3 (0.42) CDK2CYP2D6DYRK1AFLT3CSNK2A1
SCHEMBL16675943 0.72 GRM4 (0.40) GSK3BCYP2D6AURKARPS6KB1MAPK1
SCHEMBL16675948 0.71 CYP2D6 (0.37) CDK2GSK3BCDK1CYP2D6AURKA
SCHEMBL16675940 0.71 APOL1 (0.39) CDK2GSK3BCDK1MAPK1
SCHEMBL16675911 0.70 NPC1 (0.39) CDK2CYP2D6AURKAMAP4K4RET
SCHEMBL18556887 0.69 CYP2D6 (0.48) CDK2CYP2D6AURKARPS6KB1AURKB
SCHEMBL16667690 0.69 CLK2 (0.52) CYP2D6AURKARPS6KB1MAP4K4CSNK1A1

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 CDK2 3048/4885GSK3B 4407/4885CDK1 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.