SCHEMBL2668191

SCHEMBL2668191

CC(C)Cc1cc(OCCc2ccccn2)c2[nH]nc(Nc3nccs3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
ALK Q9UM73 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GCK P35557 4/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2668239 0.91 GCK (0.42) GRM4ALKALDH1A1GCKKDM4E
SCHEMBL2668101 0.86 GRM4 (0.37) GRM4ALKALDH1A1GCKPKM
SCHEMBL9072620 0.85 GRM4 (0.34) GRM4ALKALDH1A1GCKKDM4E
SCHEMBL9072623 0.85 GCK (0.43) GRM4ALDH1A1GCKPKMKDM4E
SCHEMBL2662227 0.85 MEN1 (0.36) GRM4ALKALDH1A1GCKPKM
SCHEMBL16508795 0.83 GCK (0.38) GRM4ALKALDH1A1GCKPKM
SCHEMBL9072743 0.83 GCK (0.38) GRM4ALDH1A1GCKPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL16495393 0.83 GCK (0.38) GRM4ALKALDH1A1GCKPKM
SCHEMBL2661861 0.82 ALDH1A1 (0.43) GRM4ALKALDH1A1PKMKDM4E
SCHEMBL9072624 0.81 GRM4 (0.36) GRM4ALKALDH1A1GCKKDM4E

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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK GRM4 2714/4885ALK 689/4885ALDH1A1 2440/4885

“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.