SCHEMBL16675932

SCHEMBL16675932

Cc1cc(N/C(=N\C(=O)CN2CCOCC2)NC(C)(C)C)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
AURKA O14965 4/20 0.40
AURKB Q96GD4 3/20 0.40
AURKC Q9UQB9 2/20 0.40
RET P07949 2/20 0.39
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
CNR2 P34972 3/20 0.38
CHRNA3 P32297 1/20 0.38
PAK4 O96013 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 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
SCHEMBL16682133 0.87 EGFR (0.40) EGFRRETLCKSRCCNR2
SCHEMBL16675910 0.84 AURKA (0.41) EGFRAURKAAURKBAURKCRET
SCHEMBL16675930 0.82 JAK3 (0.37) AURKAAURKBRETLCKSRC
SCHEMBL16675905 0.81 MAPK1 (0.45) AURKAAURKBAURKCRETLCK
SCHEMBL16675909 0.80 PAK4 (0.39) AURKAAURKBAURKCRETLCK
SCHEMBL16675931 0.79 CDK2 (0.37) RETLCKSRCGSK3B
SCHEMBL16675926 0.78 CCNA2 (0.41) AURKAAURKBRETLCKSRC
SCHEMBL16675921 0.77 CCNA2 (0.40) RETLCKSRCSMN1; SMN2
SCHEMBL16675965 0.76 GSK3B (0.47) KDM4EGSK3B
SCHEMBL16675923 0.75 RET (0.38) RETLCKSRCSMN1; SMN2

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 2 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-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 EGFR 4181/4885AURKA 1571/4885AURKB 1274/4885

“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.