SCHEMBL16682131

SCHEMBL16682131

CC(C)CN/C(=N/C(=O)CN1CCOCC1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.37
EGFR P00533 1/20 0.36
RET P07949 2/20 0.35
TSHR P16473 2/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.35
CHRNA3 P32297 1/20 0.35
MAPK1 P28482 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.34
CDK7 P50613 2/20 0.34
CDK13 Q14004 2/20 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
SCHEMBL16675910 0.87 AURKA (0.41) EGFRRETTSHRMAPTCHRNA3
SCHEMBL16682133 0.86 EGFR (0.40) WDR5EGFRRETCNR2CHRNA3
SCHEMBL16682118 0.84 MAPK1 (0.42) WDR5EGFRRETCNR2MAPT
SCHEMBL16682108 0.79 CYP2D6 (0.44) WDR5POLBL3MBTL1
SCHEMBL16675946 0.74 KDM4E (0.41) TSHRMAPTMAPK1POLB
SCHEMBL16675932 0.73 EGFR (0.42) EGFRRETCNR2CHRNA3
SCHEMBL16682107 0.72 RET (0.37) RET
SCHEMBL16675905 0.71 MAPK1 (0.45) RETCHRNA3MAPK1
SCHEMBL16682128 0.70 RET (0.39) RET
SCHEMBL16675900 0.70 JAK3 (0.36) RETMAPK1

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 WDR5 1179/4885EGFR 4181/4885RET 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.