SCHEMBL16675925

SCHEMBL16675925

COCC(C)N/C(=N/C(=O)C1CCCCC1)Nc1cc(C)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.39
CCNE1 P24864 7/20 0.39
MAPK1 P28482 2/20 0.36
AURKA O14965 1/20 0.35
RIPK1 Q13546 1/20 0.35
AURKB Q96GD4 1/20 0.35
CTSK P43235 1/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
SRC P12931 1/20 0.35
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL16675920 0.99 CDK2 (0.39) CDK2CCNE1MAPK1CTSKLCK
SCHEMBL16682119 0.87 CCNE1 (0.40) CDK2CCNE1MAPK1RET
SCHEMBL16675895 0.87 CDK2 (0.38) CDK2CCNE1MAPK1CTSKLCK
SCHEMBL16682079 0.86 CCNE1 (0.40) CDK2CCNE1MAPK1RET
SCHEMBL16675903 0.81 MAPK1 (0.39) CDK2CCNE1MAPK1CTSKCCNA2
SCHEMBL16675901 0.79 MAPK1 (0.39) CDK2CCNE1MAPK1
SCHEMBL16675893 0.79 MAPK1 (0.38) CDK2CCNE1MAPK1CTSKLCK
SCHEMBL16675929 0.78 CCNA2 (0.39) CDK2AURKARIPK1AURKBLCK
SCHEMBL16675908 0.78 MAPK1 (0.39) CDK2CCNE1MAPK1CTSKRET
SCHEMBL16675919 0.77 CCNA2 (0.40) CDK2AURKARIPK1AURKBLCK

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

“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.