SCHEMBL1744901

SCHEMBL1744901

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.35
DYRK1A Q13627 7/20 0.34
GSK3B P49841 4/20 0.34
PDPK1 O15530 1/20 0.34
WNT1 P04628 4/20 0.33
PTPN1 P18031 1/20 0.33
ATM Q13315 1/20 0.33
CDK2 P24941 1/20 0.31
AKT1 P31749 1/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
ITGA4 P13612 1/20 0.30
ITGB7 P26010 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
SCHEMBL2547825 0.94 PTPRB (0.37) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL2547827 0.94 PTPRB (0.37) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL12280772 0.93 PTPRB (0.33) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL1743840 0.91 AKT1 (0.40) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL2549583 0.91 MLYCD (0.37) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL12266678 0.88 DYRK1A (0.33) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL12241747 0.87 DYRK1A (0.34) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL13286102 0.87 DYRK1A (0.34) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL1743901 0.87 GSK3B (0.33) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL2550295 0.85 AKT1 (0.40) PTPRBDYRK1AGSK3BWNT1ATM

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 3 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
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 PTPRB 879/4885DYRK1A 2916/4885GSK3B 145/4885

“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.