SCHEMBL564699

SCHEMBL564699

CCOC(=O)C(C)=NNc1ccc(Oc2ccc(S(C)(=O)=O)nc2)cc1OC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.36
GCK P35557 2/20 0.36
PIK3CA P42336 6/20 0.35
PIK3CD O00329 2/20 0.35
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
MKNK1 Q9BUB5 1/20 0.32
KAT2B Q92831 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL564698 1.00 GPR119 (0.36) GPR119GCKPIK3CAPIK3CDRAF1
SCHEMBL564386 0.89 PIK3CA (0.34) GCKPIK3CAMKNK2MKNK1KAT2B
SCHEMBL564741 0.86 GCK (0.38) GPR119GCK
SCHEMBL564417 0.86 MEN1 (0.35) GCKPIK3CAMKNK2MKNK1MEN1
SCHEMBL1677149 0.84 GCK (0.35) GPR119GCKGAAMEN1THRB
SCHEMBL15576378 0.84 GCK (0.35) GPR119GCKGAAMEN1THRB
SCHEMBL1038980 0.84 GCK (0.35) GPR119GCKGAAMEN1THRB
SCHEMBL564372 0.83 MKNK1 (0.36) MKNK2MKNK1KAT2BMEN1THRB
SCHEMBL564347 0.82 GCK (0.36) GPR119GCKGAAMEN1THRB
SCHEMBL1038690 0.81 GCK (0.36) GPR119GCKGAAMEN1THRB

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
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP 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-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 GPR119 1/4885GCK 5/4885PIK3CA 875/4885

“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.