SCHEMBL1743840

SCHEMBL1743840

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)CN(C(=O)OC(C)(C)C)c1ncc(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.40
CDK2 P24941 6/20 0.40
PTPRB P23467 2/20 0.36
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PDPK1 O15530 1/20 0.34
WNT1 P04628 1/20 0.33
SGK1 O00141 1/20 0.33
PTPN1 P18031 1/20 0.33
ATM Q13315 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL2550309 0.94 AKT1 (0.40) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL2550295 0.94 AKT1 (0.40) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL12266678 0.91 DYRK1A (0.33) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL1744901 0.91 PTPRB (0.35) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL2549583 0.91 MLYCD (0.37) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL13286102 0.87 DYRK1A (0.34) PTPRBGSK3BDYRK1APDPK1WNT1
SCHEMBL12241747 0.87 DYRK1A (0.34) PTPRBGSK3BDYRK1APDPK1WNT1
SCHEMBL1743901 0.87 GSK3B (0.33) PTPRBGSK3BDYRK1APDPK1WNT1
SCHEMBL2546671 0.86 CDK2 (0.35) AKT1CDK2PTPRBGSK3BDYRK1A
SCHEMBL2548917 0.85 PTPRB (0.34) AKT1CDK2PTPRBGSK3BDYRK1A

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
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
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 AKT1 74/4885CDK2 151/4885PTPRB 879/4885

“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.