SCHEMBL16675931

SCHEMBL16675931

Cc1cc(N/C(=N\C(=O)CC2COC2)NC(C)(C)C)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
SYK P43405 1/20 0.37
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ATM Q13315 1/20 0.34
RET P07949 4/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CCNE1 P24864 4/20 0.33
GSK3B P49841 3/20 0.33
LCK P06239 2/20 0.33
SRC P12931 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 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
SCHEMBL16675930 0.90 JAK3 (0.37) CDK2CCNA2CCNA1SYKRET
SCHEMBL16675923 0.87 RET (0.38) CDK2CCNA2CCNA1SYKNPC1
SCHEMBL16682115 0.87 CRHR1 (0.36) CDK2RETCCNE1GSK3BLCK
SCHEMBL16675926 0.80 CCNA2 (0.41) CDK2CCNA2CCNA1SYKNPC1
SCHEMBL16675932 0.79 EGFR (0.42) RETGSK3BLCKSRC
SCHEMBL16675921 0.79 CCNA2 (0.40) CDK2CCNA2CCNA1SYKNPC1
SCHEMBL16675906 0.79 NPC1 (0.36) CDK2CCNA2CCNA1NPC1RAB9A
SCHEMBL16675966 0.77 GSK3B (0.41) CDK2GSK3BMAPK1
SCHEMBL16682178 0.77 CNR2 (0.40) CDK2RETCCNE1GSK3BLCK
SCHEMBL16675919 0.76 CCNA2 (0.40) CDK2CCNA2CCNA1SYKNPC1

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 CDK2 3048/4885CCNA2 2214/4885CCNA1 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.