SCHEMBL16682182

SCHEMBL16682182

CC(C)(C)N/C(=N/C(=O)Cc1ccc(F)c(F)c1)Nc1cc(C(F)(F)F)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 14/20 0.41
CDK2 P24941 1/20 0.37
RET P07949 2/20 0.36
ROCK2 O75116 1/20 0.34
PARP1 P09874 1/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34
CACNA1G O43497 3/20 0.34
CACNA1I Q9P0X4 3/20 0.34
ANO1 Q5XXA6 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
SCHEMBL16675928 0.88 NPC1 (0.39) CACNA1HCDK2RETPARP1LCK
SCHEMBL16682132 0.83 CCNA2 (0.46) CDK2RETROCK2
SCHEMBL18556887 0.82 CYP2D6 (0.48) CACNA1HCDK2ROCK2CACNA1GCACNA1I
SCHEMBL16682128 0.79 RET (0.39) RETLCKSRC
SCHEMBL16682130 0.78 STK25 (0.39) CDK2RETLCKSRCCACNA1I
SCHEMBL16682168 0.76 P2RX7 (0.37) CDK2RETROCK2LCKSRC
SCHEMBL9921110 0.76 PRKAB2 (0.42) CDK2RETLCKSRC
SCHEMBL16682113 0.75 CRHR1 (0.38) CDK2RETLCKSRCCACNA1I
SCHEMBL16682115 0.75 CRHR1 (0.36) CDK2RETLCKSRCCACNA1I
SCHEMBL16675969 0.75 TRPA1 (0.37) CACNA1HPARP1ANO1

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 CACNA1H 3756/4885CDK2 3048/4885RET 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.