SCHEMBL1744751

SCHEMBL1744751

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.35
AKT1 P31749 3/20 0.35
DYRK1A Q13627 6/20 0.33
GSK3B P49841 3/20 0.33
WNT1 P04628 3/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
AAK1 Q2M2I8 4/20 0.31
PTPRB P23467 2/20 0.30
PDPK1 O15530 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
SCHEMBL1744914 0.96 DYRK1A (0.33) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL2546671 0.94 CDK2 (0.35) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL1742990 0.90 DYRK1A (0.33) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL2546675 0.90 CDK2 (0.32) CDK2AKT1DYRK1AGSK3BPPARG
SCHEMBL1745653 0.89 CDK2 (0.33) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL12241700 0.87 DYRK1A (0.35) DYRK1AGSK3BWNT1AAK1PDPK1
SCHEMBL2550295 0.86 AKT1 (0.40) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL2550309 0.86 AKT1 (0.40) CDK2AKT1DYRK1AGSK3BWNT1
SCHEMBL1742991 0.85 AAK1 (0.31) DYRK1AGSK3BAAK1
SCHEMBL1744755 0.85 GSK3B (0.31) DYRK1AGSK3BWNT1PTPRBPDPK1

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 CDK2 151/4885AKT1 74/4885DYRK1A 2916/4885

“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.