SCHEMBL1654202

SCHEMBL1654202

CN(c1cccc2cc(-c3ncc(CN4CCOCC4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PIK3CA P42336 4/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 2/20 0.32
MAPK14 Q16539 1/20 0.32
SMO Q99835 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL2659452 0.94 HPGD (0.37) HTTADORA2ASMN1; SMN2CNR1CNR2
SCHEMBL13203291 0.93 HPGD (0.38) HTTADORA2ASMN1; SMN2CNR1CNR2
SCHEMBL2659846 0.93 HPGD (0.33) HTTSMN1; SMN2CNR1CNR2HPGD
SCHEMBL2659729 0.92 NPC1 (0.33) SMN1; SMN2CNR1CNR2HPGDLMNA
SCHEMBL2661550 0.91 LMNA (0.36) SMN1; SMN2CNR1CNR2HPGDLMNA
SCHEMBL13203319 0.91 SMN1; SMN2 (0.35) SMN1; SMN2CNR1CNR2HPGDLMNA
SCHEMBL2661553 0.90 LMNA (0.33) HTTSMN1; SMN2CNR1CNR2HPGD
SCHEMBL13203295 0.90 OGA (0.33) SMN1; SMN2CNR1CNR2HPGDLMNA
SCHEMBL2660368 0.89 ALDH1A1 (0.44) HTTSMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL2963435 0.89 ALDH1A1 (0.34) HTTSMN1; SMN2HPGDLMNAALDH1A1

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 12 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-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

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 HTT 2066/4885PIK3CA 688/4885ADORA2A 2051/4885

“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.