SCHEMBL16675966

SCHEMBL16675966

Cc1ccc2c(N/C(=N\C(=O)CC3COC3)NC(C)(C)C)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.41
CYP1A2 P05177 1/20 0.38
GSK3A P49840 3/20 0.37
AAK1 Q2M2I8 2/20 0.37
PIK3CD O00329 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
DYRK1A Q13627 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
SCHEMBL16675962 0.91 GSK3B (0.40) GSK3BCYP1A2GSK3AAAK1PIK3CD
SCHEMBL18556896 0.88 GSK3B (0.52) GSK3BGSK3AAAK1HDAC6MAPK1
SCHEMBL16675934 0.81 GSK3B (0.39) GSK3BCYP1A2GSK3AAAK1HDAC6
SCHEMBL16682137 0.80 GSK3B (0.50) GSK3BGSK3AAAK1PIK3CDPIM1
SCHEMBL18556305 0.79 AAK1 (0.43) GSK3BGSK3AAAK1PIK3CDPIM1
SCHEMBL16675931 0.77 CDK2 (0.37) GSK3BCDK2MAPK1
SCHEMBL16675953 0.73 GSK3B (0.39) GSK3BCYP1A2GSK3AAAK1MAPK1
SCHEMBL16682115 0.73 CRHR1 (0.36) GSK3BCDK2
SCHEMBL16675965 0.72 GSK3B (0.47) GSK3BHDAC6MAPK1
SCHEMBL16682116 0.71 GSK3B (0.44) GSK3BCYP1A2GSK3AHDAC6

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 GSK3B 4407/4885CYP1A2 2648/4885GSK3A 4056/4885

“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.