SCHEMBL2546476

SCHEMBL2546476

COCc1nc(N(CC(NC(=O)OC(C)(C)C)C(C)c2ccc(C(F)(F)F)cc2)C(=O)O)sc1-c1ccc2cnc(F)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK2 P24941 1/20 0.31
AKT1 P31749 1/20 0.31
CTSA P10619 1/20 0.31
PPARD Q03181 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
SCHEMBL1744804 1.00 GSK3B (0.31) GSK3BDYRK1ACDK2AKT1CTSA
SCHEMBL2546473 1.00 GSK3B (0.31) GSK3BDYRK1ACDK2AKT1CTSA
SCHEMBL1743589 0.95 GSK3B (0.31) GSK3BDYRK1ACDK2AKT1
SCHEMBL2546675 0.83 CDK2 (0.32) GSK3BDYRK1ACDK2AKT1
SCHEMBL2551200 0.82 PPARG (0.34) AKT1
SCHEMBL2551201 0.82 PPARG (0.34) AKT1
SCHEMBL1744751 0.81 CDK2 (0.35) GSK3BDYRK1ACDK2AKT1
SCHEMBL1743834 0.81 CDK2 (0.30) CDK2AKT1
SCHEMBL2547843 0.80 PTPN1 (0.31) GSK3BDYRK1A
SCHEMBL2547847 0.80 PTPN1 (0.31) GSK3BDYRK1A

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 2 patents. 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
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 GSK3B 145/4885DYRK1A 2916/4885CDK2 151/4885

“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.