SCHEMBL1677428

SCHEMBL1677428

COCc1ccc(Oc2cc(OC)c3[nH]c(C4=NCC(CC(N)=O)S4)cc3c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
AOC3 Q16853 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
SCHEMBL12734366 0.94 ALDH1A1 (0.31) ALDH1A1TP53CYP1A2CYP3A4MAPT
SCHEMBL1677578 0.93 GCK (0.37) GCKALDH1A1TP53CYP1A2CYP3A4
SCHEMBL1677382 0.91 GCK (0.34) GCKMAPT
SCHEMBL12734326 0.90 EGFR (0.32) ALDH1A1TP53CYP1A2CYP3A4MAPT
SCHEMBL564516 0.90 GCK (0.34) GCKAOC3
SCHEMBL13665691 0.90 GCK (0.33) GCKALDH1A1
SCHEMBL12806853 0.90 GCK (0.33) GCKALDH1A1TP53CYP1A2CYP3A4
SCHEMBL1677518 0.89 GCK (0.33) GCKALDH1A1MAPT
SCHEMBL12807199 0.88 ALDH1A1 (0.32) GCKALDH1A1TP53CYP1A2CYP3A4
SCHEMBL1677907 0.88 GCK (0.35) 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 4 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
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 GCK 4/4885ALDH1A1 305/4885TP53 2626/4885

“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.