SCHEMBL16675900

SCHEMBL16675900

Cc1cc(N/C(=N\C(=O)CC2CCOCC2)NCC(C)C)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
CTSD P07339 1/20 0.35
RET P07949 2/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
MAPK1 P28482 3/20 0.34
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
GSK3B P49841 1/20 0.33
RIPK1 Q13546 1/20 0.33
PRKD1 Q15139 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
SCHEMBL16682124 0.87 CNR2 (0.37) CTSDRETCDK2MAPK1GSK3B
SCHEMBL16675930 0.84 JAK3 (0.37) JAK3RETLCKSRCCCNA2
SCHEMBL16675901 0.83 MAPK1 (0.39) JAK3CDK2MAPK1GSK3B
SCHEMBL16675910 0.82 AURKA (0.41) RETLCKSRCMAPK1AURKA
SCHEMBL16675897 0.78 PLK4 (0.40) JAK3CDK2
SCHEMBL16675957 0.77 GSK3B (0.44) MAPK1GSK3BRIPK1
SCHEMBL16675896 0.75 RET (0.37) RETLCKSRCCCNA2CDK2
SCHEMBL16675931 0.73 CDK2 (0.37) JAK3RETLCKSRCCCNA2
SCHEMBL16675923 0.73 RET (0.38) RETLCKSRCCCNA2CDK2
SCHEMBL16682178 0.72 CNR2 (0.40) RETLCKSRCCDK2GSK3B

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 JAK3 4755/4885CTSD 2047/4885RET 4696/4885

“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.