SCHEMBL1076403

SCHEMBL1076403

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
CHEK2 O96017 2/20 0.36
GCK P35557 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
FLT3 P36888 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CFD P00746 1/20 0.35
MAPT P10636 1/20 0.35
SCN9A Q15858 1/20 0.35
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL12734193 0.92 IDO1 (0.37) IDO1CHEK2DRD2DRD3IKBKB
SCHEMBL1076491 0.91 ACACA (0.34) IDO1CHEK2GCKCFDSCN9A
SCHEMBL1076900 0.91 HPGD (0.44) IDO1GCKDRD2DRD3FLT3
SCHEMBL1076607 0.90 IDO1 (0.35) IDO1CHEK2GCKDRD2DRD3
SCHEMBL1677370 0.87 RAB9A (0.48) IDO1MAPTALDH1A1LMNAHPGD
SCHEMBL12734137 0.86 IDO1 (0.39) IDO1CHEK2DRD2DRD3FLT3
SCHEMBL564673 0.86 PDE4D (0.38) GCKMAPTSCN9AKCNH2ATM
SCHEMBL12807212 0.83 AXL (0.38) GCKMAPTALDH1A1HPGDKDR
SCHEMBL1076711 0.82 CHEK2 (0.36) IDO1CHEK2GCKDRD2DRD3
SCHEMBL12734192 0.82 HPGD (0.44) IDO1DRD2DRD3FLT3MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 IDO1 3049/4885CHEK2 4288/4885GCK 4/4885

“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.