SCHEMBL16675896

SCHEMBL16675896

Cc1cc(N/C(=N\C(=O)CC2CCCCC2)NCC(C)(C)O)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.37
LCK P06239 3/20 0.37
SRC P12931 3/20 0.37
CDK2 P24941 3/20 0.35
CCNA2 P20248 2/20 0.35
CCNA1 P78396 2/20 0.35
CCNE1 P24864 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
RORC P51449 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16682109 0.87 CACNA1I (0.38) RETLCKSRCCDK2CCNE1
SCHEMBL16675923 0.87 RET (0.38) RETLCKSRCCDK2CCNA2
SCHEMBL16675899 0.82 CCNA2 (0.40) RETLCKSRCCDK2CCNA2
SCHEMBL16675902 0.80 CCNA2 (0.38) RETLCKSRCCDK2CCNA2
SCHEMBL16675915 0.78 CCNA2 (0.37) RETLCKSRCCDK2CCNA2
SCHEMBL16675912 0.78 RET (0.39) RETCDK2CCNA2CCNA1NPC1
SCHEMBL16675907 0.78 CDK2 (0.46) RETCDK2CCNA2CCNA1GAA
SCHEMBL16675924 0.78 RET (0.36) RETLCKSRCCDK2CCNA2
SCHEMBL16675930 0.77 JAK3 (0.37) RETLCKSRCCDK2CCNA2
SCHEMBL16675927 0.77 RET (0.37) RETLCKSRCCDK2CCNA2

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 RET 4696/4885LCK 1706/4885SRC 4410/4885

“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.