SCHEMBL564673

SCHEMBL564673

COCc1ccc(Oc2cc(OC3CCOCC3)c3[nH]c(C(N)=O)cc3c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.38
ATM Q13315 4/20 0.38
KCNH2 Q12809 2/20 0.38
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
PRKDC P78527 1/20 0.38
GCK P35557 2/20 0.37
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
AOC3 Q16853 1/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
SCN9A Q15858 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL563661 0.93 PDE4D (0.35) PDE4DATMKCNH2PIK3CAMTOR
SCHEMBL564303 0.92 GCK (0.39) PDE4DATMKCNH2PIK3CAMTOR
SCHEMBL564288 0.92 PDE4D (0.34) PDE4DATMKCNH2PIK3CAMTOR
SCHEMBL563584 0.90 KDM4E (0.40) PDE4DATMGCKPDE4APDE4B
SCHEMBL564631 0.89 GCK (0.35) PDE4DPIK3CAGCKPDE4APDE4B
SCHEMBL1076403 0.86 IDO1 (0.39) ATMKCNH2GCKMAPTSCN9A
SCHEMBL564327 0.85 APP (0.32) PDE4DPIK3CAGCKPDE4APDE4B
SCHEMBL564358 0.84 GCK (0.38) PDE4DPIK3CAGCKFGFR1FGFR2
SCHEMBL564680 0.83 KDM4E (0.37) PDE4DATMGCKPDE4APDE4B
SCHEMBL564516 0.82 GCK (0.34) PDE4DATMKCNH2PIK3CAMTOR

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 PDE4D 1302/4885ATM 2440/4885KCNH2 2354/4885

“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.