SCHEMBL711346

SCHEMBL711346

CC(C)Oc1cc(OCCc2ccsc2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.47
CBFB Q13951 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
ACHE P22303 1/20 0.34
HPGD P15428 1/20 0.32
CACNA1B Q00975 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
HTR1A P08908 1/20 0.31
TOP1 P11387 1/20 0.31
MCHR1 Q99705 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
SCHEMBL711181 0.88 GCK (0.45) GCKCBFBACHECACNA1BPTGES
SCHEMBL710168 0.86 GCK (0.48) GCKCBFBLNPEPACHEHPGD
SCHEMBL712130 0.83 CBFB (0.41) GCKCBFBACHEHPGDCCNB2
SCHEMBL711559 0.83 GCK (0.46) GCKCBFBACHEPTGESALOX5
SCHEMBL2668216 0.83 GCK (0.55) GCKLNPEPHPGDPTGESALOX5
SCHEMBL712144 0.83 GCK (0.61) GCKLNPEPPTGESALOX5
SCHEMBL711044 0.81 GCK (0.46) GCKCBFBHPGD
SCHEMBL709316 0.81 CYP4F2 (0.42) GCKCBFBACHEHPGD
Trifluoroacetic Acid SCHEMBL720615 0.80 GCK (0.45) GCKCBFBCACNA1BPTGESALOX5
SCHEMBL712326 0.80 GCK (0.52) GCKLNPEPPTGESALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940837-B1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2012-11-07 EP disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK GCK 1/4885CBFB 2767/4885LNPEP 2229/4885

“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.