SCHEMBL16675905

SCHEMBL16675905

COCC(C)N/C(=N/C(=O)CN1CCOCC1)Nc1cc(C)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
AURKA O14965 8/20 0.40
AURKB Q96GD4 4/20 0.40
AURKC Q9UQB9 2/20 0.40
CHRNA3 P32297 1/20 0.39
RET P07949 2/20 0.37
LCK P06239 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL16682118 0.88 MAPK1 (0.42) MAPK1CHRNA3RET
SCHEMBL16675901 0.84 MAPK1 (0.39) MAPK1
SCHEMBL16675910 0.83 AURKA (0.41) MAPK1AURKAAURKBAURKCCHRNA3
SCHEMBL16675903 0.81 MAPK1 (0.39) MAPK1
SCHEMBL16675932 0.81 EGFR (0.42) AURKAAURKBAURKCCHRNA3RET
SCHEMBL16675893 0.80 MAPK1 (0.38) MAPK1RETLCKSRC
SCHEMBL16675908 0.79 MAPK1 (0.39) MAPK1RET
SCHEMBL16675895 0.78 CDK2 (0.38) MAPK1RETLCKSRC
SCHEMBL16675956 0.76 MAPK1 (0.39) MAPK1
SCHEMBL16675920 0.76 CDK2 (0.39) MAPK1RETLCKSRC

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 MAPK1 3291/4885AURKA 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.