SCHEMBL16675930

SCHEMBL16675930

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
SYK P43405 1/20 0.36
CDK2 P24941 3/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
ACKR3 P25106 1/20 0.35
RET P07949 5/20 0.35
LCK P06239 3/20 0.35
SRC P12931 3/20 0.35
AURKA O14965 1/20 0.34
RIPK1 Q13546 1/20 0.34
AURKB Q96GD4 1/20 0.34
CCNE1 P24864 1/20 0.34
GSK3B P49841 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
SCHEMBL16675931 0.90 CDK2 (0.37) JAK3SYKCDK2CCNA2CCNA1
SCHEMBL16675923 0.90 RET (0.38) SYKCDK2CCNA2CCNA1RET
SCHEMBL16682178 0.87 CNR2 (0.40) CNR2CNR1CDK2ACKR3RET
SCHEMBL16675900 0.84 JAK3 (0.36) JAK3CDK2CCNA2CCNA1RET
SCHEMBL16675932 0.82 EGFR (0.42) CNR2RETLCKSRCAURKA
SCHEMBL16675901 0.81 MAPK1 (0.39) JAK3CDK2CCNE1GSK3B
SCHEMBL16675897 0.80 PLK4 (0.40) JAK3CDK2CCNE1
SCHEMBL16675962 0.78 GSK3B (0.40) CDK2GSK3B
SCHEMBL16675926 0.78 CCNA2 (0.41) SYKCDK2CCNA2CCNA1RET
SCHEMBL16675921 0.77 CCNA2 (0.40) SYKCDK2CCNA2CCNA1RET

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 4755/4885CNR2 4204/4885CNR1 3980/4885

“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.