SCHEMBL3127039

SCHEMBL3127039

CN(C(=O)OC1CC(c2cc(NC(=O)C(C)(C)c3ccccn3)n(C(=O)OC(C)(C)C)n2)C1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.36
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
GSK3B P49841 2/20 0.34
USP30 Q70CQ3 6/20 0.34
PTGER1 P34995 1/20 0.33
GPR119 Q8TDV5 3/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
PIK3CD O00329 1/20 0.32
MMP13 P45452 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
PDE10A Q9Y233 1/20 0.30
UCHL1 P09936 1/20 0.30

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
SCHEMBL3127323 0.87 PTGER1 (0.37) NPY2RCCNE1CDK2GSK3BUSP30
SCHEMBL3127036 0.84 NPY2R (0.43) NPY2RCCNE1CDK2GSK3B
SCHEMBL3124512 0.77 CDK2 (0.48) CCNE1CDK2GSK3B
SCHEMBL3127317 0.71 NPY2R (0.43) NPY2RCCNE1CDK2GSK3BPTGER1
SCHEMBL3252851 0.67 CYP3A4 (0.41) NPY2RCCNE1CDK2GSK3BPTGER1
SCHEMBL11966180 0.66 KCNJ6 (0.43) CCNE1CDK2GSK3BUSP30GPR119
SCHEMBL3131592 0.66 CDK2 (0.46) CCNE1CDK2GSK3B
SCHEMBL3131586 0.66 CDK2 (0.46) CCNE1CDK2GSK3B
SCHEMBL3257048 0.63 CCNE1 (0.39) CCNE1CDK2GSK3BHTR2CSLC6A4
SCHEMBL3257050 0.63 CCNE1 (0.39) CCNE1CDK2GSK3BHTR2CSLC6A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
EP-1689721-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS Pfizer Products Inc. (US) 2006-08-16 EP disclosed
WO-2005051919-A1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-06-09 WO 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP NPY2R 876/4885CCNE1 420/4885CDK2 58/4885

“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.