SCHEMBL16675926

SCHEMBL16675926

CCCC(=O)/N=C(\Nc1cc(C)[nH]n1)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
SYK P43405 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ATM Q13315 1/20 0.40
RET P07949 4/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
CTSK P43235 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16675921 0.84 CCNA2 (0.40) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL16675931 0.80 CDK2 (0.37) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL16675923 0.80 RET (0.38) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL16675922 0.79 CDK7 (0.44) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL16675930 0.78 JAK3 (0.37) CCNA2CDK2CCNA1SYKRET
SCHEMBL16675928 0.78 NPC1 (0.39) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL16675932 0.78 EGFR (0.42) RETAURKAAURKBSMN1; SMN2LCK
SCHEMBL16675919 0.76 CCNA2 (0.40) CCNA2CDK2CCNA1SYKNPC1
SCHEMBL18556898 0.76 RAB9A (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16675929 0.75 CCNA2 (0.39) CCNA2CDK2CCNA1SYKNPC1

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 CCNA2 2214/4885CDK2 3048/4885CCNA1 2772/4885

“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.