SCHEMBL2546675

SCHEMBL2546675

CC(C)(C)OC(=O)N[C@H](CN(C(=O)O)c1nc(C(C)(C)C)c(-c2ccc3cnc(F)cc3c2)s1)[C@@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.32
AKT1 P31749 2/20 0.32
AAK1 Q2M2I8 2/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL1742991 0.96 AAK1 (0.31) AAK1GSK3BDYRK1A
SCHEMBL1743834 0.90 CDK2 (0.30) CDK2AKT1
SCHEMBL1744751 0.90 CDK2 (0.35) CDK2AKT1AAK1GSK3BDYRK1A
SCHEMBL1743842 0.87 AKT1 (0.36) CDK2AKT1GSK3BDYRK1APPARG
SCHEMBL2550226 0.86
SCHEMBL1744914 0.85 DYRK1A (0.33) CDK2AKT1AAK1GSK3BDYRK1A
SCHEMBL2546671 0.84 CDK2 (0.35) CDK2AKT1GSK3BDYRK1APPARG
SCHEMBL2546476 0.83 GSK3B (0.31) CDK2AKT1GSK3BDYRK1A
SCHEMBL2546473 0.83 GSK3B (0.31) CDK2AKT1GSK3BDYRK1A
SCHEMBL1744804 0.83 GSK3B (0.31) CDK2AKT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 CDK2 151/4885AKT1 74/4885AAK1 588/4885

“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.