SCHEMBL16675909

SCHEMBL16675909

Cc1cc(N/C(=N\C(=O)CN2CCOCC2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.39
AURKA O14965 6/20 0.38
AURKB Q96GD4 4/20 0.38
AURKC Q9UQB9 2/20 0.38
RET P07949 4/20 0.37
NTRK1 P04629 3/20 0.37
PLK4 O00444 2/20 0.37
MAP4K4 O95819 1/20 0.37
ATM Q13315 1/20 0.36
TNIK Q9UKE5 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL16682108 0.88 CYP2D6 (0.44) PAK4AURKANTRK1PLK4MAP4K4
SCHEMBL16675897 0.84 PLK4 (0.40) PAK4NTRK1PLK4JAK3
SCHEMBL16675906 0.82 NPC1 (0.36) PAK4AURKBNTRK1PLK4
SCHEMBL16675898 0.81 NPC1 (0.39) PAK4AURKAAURKBRETNTRK1
SCHEMBL16675894 0.81 RAB9A (0.39) AURKAAURKBRETATMLCK
SCHEMBL16675955 0.80 GSK3B (0.43) PAK4NTRK1PLK4MAP4K4ATM
SCHEMBL16675932 0.80 EGFR (0.42) PAK4AURKAAURKBAURKCRET
SCHEMBL16675904 0.79 GRM4 (0.40) RETNTRK1PLK4MAP4K4LCK
SCHEMBL16675917 0.78 NPY5R (0.43) PAK4AURKAAURKBRETNTRK1
SCHEMBL16675910 0.78 AURKA (0.41) AURKAAURKBAURKCRETLCK

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 PAK4 3061/4885AURKA 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.