SCHEMBL16675962

SCHEMBL16675962

Cc1ccc2c(N/C(=N\C(=O)CC3CCOCC3)NC(C)(C)C)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.40
AAK1 Q2M2I8 8/20 0.39
MAPK1 P28482 1/20 0.38
GSK3A P49840 5/20 0.38
CDK2 P24941 3/20 0.38
PIK3CD O00329 1/20 0.38
PIM1 P11309 1/20 0.38
ITK Q08881 1/20 0.37
CYP1A2 P05177 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
SCHEMBL16675966 0.91 GSK3B (0.41) GSK3BAAK1MAPK1GSK3ACDK2
SCHEMBL16682137 0.89 GSK3B (0.50) GSK3BAAK1MAPK1GSK3ACDK2
SCHEMBL16675953 0.82 GSK3B (0.39) GSK3BAAK1MAPK1GSK3AITK
SCHEMBL18556896 0.80 GSK3B (0.52) GSK3BAAK1MAPK1GSK3A
SCHEMBL18556305 0.79 AAK1 (0.43) GSK3BAAK1GSK3ACDK2PIK3CD
SCHEMBL16675930 0.78 JAK3 (0.37) GSK3BCDK2
SCHEMBL16675957 0.77 GSK3B (0.44) GSK3BAAK1MAPK1GSK3ACYP1A2
SCHEMBL16675965 0.74 GSK3B (0.47) GSK3BMAPK1
SCHEMBL16682178 0.74 CNR2 (0.40) GSK3BCDK2
SCHEMBL16675950 0.74 GSK3B (0.43) GSK3BAAK1MAPK1

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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-04-17 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 (2 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-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS ACHE, ABCC5, ABCC2 GSK3B 2804/4885AAK1 2956/4885MAPK1 4540/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C GSK3B 4407/4885AAK1 733/4885MAPK1 3291/4885

“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.