SCHEMBL16675901

SCHEMBL16675901

COCC(C)N/C(=N/C(=O)CC1CCOCC1)Nc1cc(C)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.39
CCNE1 P24864 7/20 0.37
CDK2 P24941 7/20 0.37
JAK3 P52333 1/20 0.34
GSK3B P49841 1/20 0.33
KCNH2 Q12809 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
SCHEMBL16675895 0.91 CDK2 (0.38) MAPK1CCNE1CDK2
SCHEMBL18556886 0.88 CCNE1 (0.38) MAPK1CCNE1CDK2
SCHEMBL16675905 0.84 MAPK1 (0.45) MAPK1
SCHEMBL16675900 0.83 JAK3 (0.36) MAPK1CDK2JAK3GSK3B
SCHEMBL16675903 0.81 MAPK1 (0.39) MAPK1CCNE1CDK2
SCHEMBL16675930 0.81 JAK3 (0.37) CCNE1CDK2JAK3GSK3B
SCHEMBL16675920 0.80 CDK2 (0.39) MAPK1CCNE1CDK2
SCHEMBL16675893 0.80 MAPK1 (0.38) MAPK1CCNE1CDK2
SCHEMBL16675925 0.79 CDK2 (0.39) MAPK1CCNE1CDK2
SCHEMBL16675908 0.79 MAPK1 (0.39) MAPK1CCNE1CDK2

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 MAPK1 3291/4885CCNE1 3962/4885CDK2 3048/4885

“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.