SCHEMBL2549583

SCHEMBL2549583

COC(=O)c1ccc(C[C@@H](CN(C(=O)OC(C)(C)C)c2ncc(-c3ccc4cnc(F)cc4c3)s2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
PTPRB P23467 2/20 0.35
ATM Q13315 1/20 0.34
DYRK1A Q13627 6/20 0.33
GSK3B P49841 3/20 0.33
PDPK1 O15530 1/20 0.33
WNT1 P04628 3/20 0.33
PTPN1 P18031 1/20 0.33
CDK2 P24941 2/20 0.32
AKT1 P31749 2/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
SYK P43405 1/20 0.30
CTSS P25774 2/20 0.30
CTSK P43235 2/20 0.30
NR1H4 Q96RI1 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
SCHEMBL1744901 0.91 PTPRB (0.35) PTPRBATMDYRK1AGSK3BPDPK1
SCHEMBL1743840 0.91 AKT1 (0.40) PTPRBATMDYRK1AGSK3BPDPK1
SCHEMBL12266678 0.88 DYRK1A (0.33) PTPRBATMDYRK1AGSK3BPDPK1
SCHEMBL12241747 0.86 DYRK1A (0.34) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL13286102 0.86 DYRK1A (0.34) PTPRBDYRK1AGSK3BPDPK1WNT1
SCHEMBL1743901 0.86 GSK3B (0.33) PTPRBATMDYRK1AGSK3BPDPK1
SCHEMBL2550295 0.85 AKT1 (0.40) PTPRBATMDYRK1AGSK3BWNT1
SCHEMBL2550309 0.85 AKT1 (0.40) PTPRBATMDYRK1AGSK3BWNT1
SCHEMBL2547827 0.85 PTPRB (0.37) PTPRBATMDYRK1AGSK3BPDPK1
SCHEMBL2547825 0.85 PTPRB (0.37) PTPRBATMDYRK1AGSK3BPDPK1

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 1 patent. 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

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 MLYCD 1019/4885PTPRB 879/4885ATM 332/4885

“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.