SCHEMBL16675957

SCHEMBL16675957

CC(C)CN/C(=N/C(=O)CC1CCOCC1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.44
MAPK1 P28482 8/20 0.43
GSK3A P49840 1/20 0.42
AAK1 Q2M2I8 3/20 0.39
GAK O14976 2/20 0.39
STK16 O75716 2/20 0.39
BMP2K Q9NSY1 2/20 0.39
ACHE P22303 1/20 0.39
CDKL2 Q92772 1/20 0.39
CYP1A2 P05177 1/20 0.38
RIPK1 Q13546 1/20 0.38
KCNH2 Q12809 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL19976745 0.77 GSK3B (0.45) GSK3BMAPK1GSK3AAAK1CYP1A2
SCHEMBL16675900 0.77 JAK3 (0.36) GSK3BMAPK1RIPK1
SCHEMBL16675962 0.77 GSK3B (0.40) GSK3BMAPK1GSK3AAAK1CYP1A2
SCHEMBL16675953 0.77 GSK3B (0.39) GSK3BMAPK1GSK3AAAK1ACHE
SCHEMBL16682137 0.76 GSK3B (0.50) GSK3BMAPK1GSK3AAAK1GAK
SCHEMBL16682124 0.76 CNR2 (0.37) GSK3BMAPK1KCNH2
SCHEMBL16675950 0.76 GSK3B (0.43) GSK3BMAPK1AAK1
SCHEMBL16752862 0.75 GSK3B (0.46) GSK3BGSK3AAAK1CYP1A2RIPK1
SCHEMBL16769265 0.75 GSK3B (0.43) GSK3BGSK3ACYP1A2RIPK1DYRK1A
SCHEMBL16752864 0.75 GSK3B (0.46) GSK3BGSK3AAAK1CYP1A2RIPK1

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 4 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
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 4407/4885MAPK1 3291/4885GSK3A 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.