SCHEMBL564327

SCHEMBL564327

COCCOCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(N)=S)cc3c2)cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.32
MAPT P10636 2/20 0.32
PDE4D Q08499 4/20 0.32
EGFR P00533 1/20 0.31
GCK P35557 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
TBK1 Q9UHD2 1/20 0.30
IL6 P05231 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PIK3CA P42336 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
SCHEMBL564288 0.93 PDE4D (0.34) APPMAPTPDE4DGCKPDE4A
SCHEMBL563661 0.92 PDE4D (0.35) APPMAPTPDE4DGCKPDE4A
SCHEMBL564680 0.87 KDM4E (0.37) APPMAPTPDE4DGCKPDE4A
SCHEMBL564673 0.85 PDE4D (0.38) APPMAPTPDE4DGCKPDE4A
SCHEMBL564619 0.84 BRD4 (0.33) PDE4DGCKIL6TLR7PIK3CA
SCHEMBL564303 0.82 GCK (0.39) APPMAPTPDE4DGCKPDE4A
SCHEMBL564803 0.81
SCHEMBL564250 0.80 GCK (0.36) PDE4DGCKPIK3CA
SCHEMBL563584 0.80 KDM4E (0.40) MAPTPDE4DGCKPDE4APDE4B
SCHEMBL563780 0.79 GCK (0.34) APPMAPTGCK

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 APP 2797/4885MAPT 4051/4885PDE4D 1302/4885

“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.