SCHEMBL16675910

SCHEMBL16675910

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.41
AURKB Q96GD4 3/20 0.41
AURKC Q9UQB9 2/20 0.41
RET P07949 4/20 0.38
LCK P06239 1/20 0.38
SRC P12931 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CHRNA3 P32297 1/20 0.37
MAPK1 P28482 2/20 0.36
EGFR P00533 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
SCHEMBL16682131 0.87 WDR5 (0.37) RETMAPTTSHRCHRNA3MAPK1
SCHEMBL16675932 0.84 EGFR (0.42) AURKAAURKBAURKCRETLCK
SCHEMBL16675905 0.83 MAPK1 (0.45) AURKAAURKBAURKCRETLCK
SCHEMBL16675900 0.82 JAK3 (0.36) AURKAAURKBRETLCKSRC
SCHEMBL16675909 0.78 PAK4 (0.39) AURKAAURKBAURKCRETLCK
SCHEMBL16675946 0.77 KDM4E (0.41) MAPTTSHRMAPK1
SCHEMBL16682133 0.72 EGFR (0.40) RETLCKSRCCHRNA3EGFR
SCHEMBL16682118 0.71 MAPK1 (0.42) RETMAPTCHRNA3MAPK1EGFR
SCHEMBL16675902 0.69 CCNA2 (0.38) AURKAAURKBRETLCKSRC
SCHEMBL16675921 0.67 CCNA2 (0.40) RETLCKSRC

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 AURKA 1571/4885AURKB 1274/4885AURKC 1467/4885

“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.