SCHEMBL1654155

SCHEMBL1654155

Cc1nnc(-c2cc3cccc(NS(=O)(=O)c4cccs4)c3[nH]2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 1/20 0.47
RELA Q04206 1/20 0.47
GLO1 Q04760 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR2 P41597 1/20 0.43
TSHR P16473 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1654318 0.86 NFKBIA (0.47) NFKBIARELAGLO1TP53MAPT
SCHEMBL12783464 0.85 NFKBIA (0.48) NFKBIARELAGLO1TP53MAPT
SCHEMBL1654477 0.84 NFKBIA (0.47) NFKBIARELAGLO1TP53MAPT
SCHEMBL13675260 0.82 TP53 (0.45) NFKBIARELAGLO1TP53MAPT
SCHEMBL1653096 0.82 NFKBIA (0.55) NFKBIARELAGLO1TP53MAPT
SCHEMBL1654909 0.82 KDM4E (0.46) NFKBIARELAGLO1TP53MAPT
SCHEMBL1653035 0.81 CCR2 (0.50) NFKBIARELAGLO1TP53MAPT
SCHEMBL1653845 0.80 NFKBIA (0.50) NFKBIARELAGLO1TP53MAPT
SCHEMBL13348580 0.80 ALDH1A1 (0.34) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL2658970 0.79 NFKBIA (0.47) NFKBIARELAGLO1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
US-20090247746-A1 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 US disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 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-20090247746-A1 Fused heterocyclic compound GCKR, GCK, GPR119 NFKBIA 812/4885RELA 700/4885GLO1 72/4885

“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.