SCHEMBL16675897

SCHEMBL16675897

Cc1cc(N/C(=N\C(=O)CC2CCOCC2)Nc2cc(F)cc(Cl)c2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 12/20 0.40
NTRK1 P04629 11/20 0.40
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM4 Q14833 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
PAK4 O96013 1/20 0.34
JAK3 P52333 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL16675904 0.91 GRM4 (0.40) PLK4NTRK1NPC1RAB9AGRM4
SCHEMBL16675906 0.91 NPC1 (0.36) PLK4NTRK1NPC1RAB9AGRM4
SCHEMBL18556908 0.88 CYP2D6 (0.44) PLK4NTRK1GRM4CCNE1CDK2
SCHEMBL16675909 0.84 PAK4 (0.39) PLK4NTRK1PAK4JAK3
SCHEMBL16675953 0.81 GSK3B (0.39)
SCHEMBL16675894 0.81 RAB9A (0.39) NPC1RAB9AGRM4CDK2CYP2D6
SCHEMBL16675898 0.81 NPC1 (0.39) PLK4NTRK1NPC1RAB9AGRM4
SCHEMBL16675918 0.80 GRM4 (0.43) PLK4NTRK1NPC1RAB9AGRM4
SCHEMBL16675930 0.80 JAK3 (0.37) CCNE1CDK2JAK3
SCHEMBL16675913 0.79 GRM4 (0.42) NPC1RAB9AGRM4CDK2CYP2D6

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 3 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

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 PLK4 3395/4885NTRK1 4595/4885NPC1 627/4885

“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.