SCHEMBL1744914

SCHEMBL1744914

CC(C)(C)OC(=O)N[C@H](CN(C(=O)O)c1ncc(-c2ccc3cnc(F)cc3c2)s1)[C@@H](O)c1ccc(C(C)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.33
GSK3B P49841 3/20 0.33
WNT1 P04628 3/20 0.33
PTPRB P23467 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30
AKT1 P31749 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
SCHEMBL1744751 0.96 CDK2 (0.35) DYRK1AGSK3BWNT1PTPRBAAK1
SCHEMBL1742990 0.94 DYRK1A (0.33) DYRK1AGSK3BWNT1PTPRBPDPK1
SCHEMBL2546671 0.90 CDK2 (0.35) DYRK1AGSK3BWNT1PTPRBPDPK1
SCHEMBL1742991 0.90 AAK1 (0.31) DYRK1AGSK3BAAK1
SCHEMBL1744755 0.89 GSK3B (0.31) DYRK1AGSK3BWNT1PTPRBPDPK1
SCHEMBL12241700 0.87 DYRK1A (0.35) DYRK1AGSK3BWNT1AAK1PDPK1
SCHEMBL2546675 0.85 CDK2 (0.32) DYRK1AGSK3BAAK1CDK2AKT1
SCHEMBL1745653 0.85 CDK2 (0.33) DYRK1AGSK3BWNT1PDPK1CDK2
SCHEMBL2550224 0.83 PDPK1 (0.33) DYRK1AGSK3BWNT1PDPK1
SCHEMBL2550295 0.82 AKT1 (0.40) DYRK1AGSK3BWNT1PTPRBCDK2

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 DYRK1A 2916/4885GSK3B 145/4885WNT1 1890/4885

“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.