SCHEMBL564799

SCHEMBL564799

CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(COCCOC)nc4)cc(OC4CCOCC4)c3[nH]2)S1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.32
TYK2 P29597 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
GCK P35557 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
ATM Q13315 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
SCHEMBL563652 0.94 GCK (0.33) KAT2BTYK2APPMAPTGCK
SCHEMBL563780 0.93 GCK (0.34) APPMAPTGCK
SCHEMBL10240492 0.91 APP (0.31) APPMAPTGCKP2RX3P2RX2
SCHEMBL564803 0.90
SCHEMBL564469 0.88 GCK (0.32) KAT2BTYK2GCK
SCHEMBL564443 0.87 GCK (0.36) APPMAPTGCKP2RX3P2RX2
SCHEMBL564516 0.86 GCK (0.34) GCKATM
SCHEMBL563612 0.85 GCK (0.35) KAT2BTYK2GCK
SCHEMBL10240411 0.85 GCK (0.33) APPMAPTGCKP2RX3P2RX2
SCHEMBL1677382 0.85 GCK (0.34) MAPTGCK

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 5 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-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
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 KAT2B 973/4885TYK2 3812/4885APP 2797/4885

“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.