SCHEMBL564631

SCHEMBL564631

CS(=O)(=O)Cc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(N)=O)cc3c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.35
PIK3CA P42336 5/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
BRD4 O60885 2/20 0.34
PDE4D Q08499 3/20 0.33
IL6 P05231 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KAT2B Q92831 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 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
SCHEMBL564619 0.93 BRD4 (0.33) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL563680 0.93 GCK (0.35) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL565153 0.90 KDM4E (0.37) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL564673 0.89 PDE4D (0.38) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL564358 0.88 GCK (0.38) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL563661 0.85 PDE4D (0.35) GCKPIK3CAFGFR1FGFR2FGFR3
SCHEMBL563602 0.83 GCK (0.46) GCKBRD4PDE4DHRH3KAT2B
SCHEMBL564735 0.82 GCK (0.32) GCK
SCHEMBL2493756 0.82 GCK (0.31) GCKBRD4
SCHEMBL564289 0.81 GCK (0.32) GCK

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 GCK 5/4885PIK3CA 875/4885FGFR1 519/4885

“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.