SCHEMBL2544079

SCHEMBL2544079

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.36
AKT1 P31749 3/20 0.36
CTSA P10619 1/20 0.34
FFAR1 O14842 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
GSK3B P49841 4/20 0.33
DYRK1A Q13627 4/20 0.33
WNT1 P04628 3/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PDE2A O00408 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
DGAT1 O75907 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL1743812 0.87 CDK2 (0.33) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL1744260 0.85 AKT1 (0.43) CDK2AKT1CTSAFFAR1
SCHEMBL2545072 0.83 AKT1 (0.38) CDK2AKT1FFAR1TRPV3GSK3B
SCHEMBL2545074 0.83 AKT1 (0.38) CDK2AKT1FFAR1TRPV3GSK3B
SCHEMBL1742500 0.79 CDK2 (0.38) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL1741924 0.77 CTSA (0.36) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL1742039 0.76 PTPRB (0.37) CDK2AKT1CTSAFFAR1GSK3B
SCHEMBL13286160 0.76 AKT1 (0.37) CDK2AKT1GSK3BDYRK1AWNT1
SCHEMBL1595120 0.75 AKT1 (0.53) CDK2AKT1FFAR1GSK3BDYRK1A
SCHEMBL3708146 0.74 CDK2 (0.34) CDK2AKT1CTSAFFAR1GSK3B

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 CDK2 151/4885AKT1 74/4885CTSA 3111/4885

“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.