SCHEMBL1742953

SCHEMBL1742953

CC(C)(C)OC(=O)N[C@@H](CN1CCC(C(F)(F)F)CC1)CN(C(=O)O)c1nc(C(C)(C)C)c(-c2ccc3cnc(F)cc3c2)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.37
DYRK1A Q13627 20/20 0.37
WNT1 P04628 12/20 0.37
DYRK3 O43781 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK2 Q92630 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK4 Q9NR20 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL2548485 0.90 DYRK1A (0.42) GSK3BDYRK1AWNT1
SCHEMBL2548488 0.90 DYRK1A (0.42) GSK3BDYRK1AWNT1
SCHEMBL1742951 0.85 GSK3B (0.42) GSK3BDYRK1AWNT1
SCHEMBL1743842 0.82 AKT1 (0.36) GSK3BDYRK1A
SCHEMBL1744902 0.81 ATM (0.32) GSK3BDYRK1A
SCHEMBL1743902 0.80 GSK3B (0.30) GSK3BDYRK1A
SCHEMBL1742991 0.78 AAK1 (0.31) GSK3BDYRK1A
SCHEMBL2546675 0.78 CDK2 (0.32) GSK3BDYRK1A
SCHEMBL2541336 0.77 FPR3 (0.34)
SCHEMBL2541340 0.77 FPR3 (0.34)

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 2 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

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 GSK3B 145/4885DYRK1A 2916/4885WNT1 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.