SCHEMBL3127036

SCHEMBL3127036

CC(C)(C)OC(=O)n1nc(C2CC(OC(=O)NCC3CC3)C2)cc1NC(=O)C(C)(C)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.43
ACACB O00763 10/20 0.41
ACACA Q13085 6/20 0.41
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
DRD2 P14416 2/20 0.35
CCNE1 P24864 4/20 0.35
CDK2 P24941 4/20 0.35
GSK3B P49841 3/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL3127317 0.87 NPY2R (0.43) NPY2RACACBACACAKDM4EPKM
SCHEMBL3127039 0.84 NPY2R (0.36) NPY2RCCNE1CDK2GSK3B
SCHEMBL3124519 0.77 CCNE1 (0.53) CCNE1CDK2GSK3B
SCHEMBL3252851 0.66 CYP3A4 (0.41) NPY2RPKMCCNE1CDK2GSK3B
SCHEMBL11966180 0.66 KCNJ6 (0.43) CCNE1CDK2GSK3B
SCHEMBL3122489 0.66 CDK2 (0.51) CCNE1CDK2GSK3B
SCHEMBL3257054 0.64 CCNE1 (0.41) CCNE1CDK2GSK3B
SCHEMBL3257052 0.64 CCNE1 (0.41) CCNE1CDK2GSK3B
SCHEMBL21450658 0.63 CACNA1G (0.42) CCNE1CDK2GSK3B
SCHEMBL3125245 0.61 CDK2 (0.53) CCNE1CDK2GSK3B

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 876/4885ACACB 1346/4885ACACA 1432/4885

“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.