SCHEMBL2087622

SCHEMBL2087622

COC[C@H](C)Oc1cc(Oc2ccc(C(=O)NC3CCS(=O)(=O)C3)cc2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
DGAT2 Q96PD7 2/20 0.43
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GCK P35557 10/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.38
KCNH2 Q12809 2/20 0.38
SCN9A Q15858 3/20 0.37

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
SCHEMBL2087619 0.93 GCK (0.39) ALDH1A1POLBGCKRIPK1KCNH2
SCHEMBL2087557 0.90 RIPK1 (0.43) POLBGCKRIPK1KCNH2
SCHEMBL2085921 0.86 GCK (0.45) GCKRIPK1KCNH2
SCHEMBL2086481 0.84 GCK (0.46) GCKRIPK1KCNH2
SCHEMBL2662392 0.83 GCK (0.42) GCKKCNH2
SCHEMBL2668044 0.83 GCK (0.51) GCKKCNH2
SCHEMBL2086661 0.83 GCK (0.51) GCKKCNH2
SCHEMBL2086048 0.83 GCK (0.42) GCKRIPK1KCNH2
SCHEMBL2086153 0.82 GCK (0.40) GCKKCNH2
SCHEMBL2668054 0.82 GCK (0.40) GCKKCNH2

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-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US claimed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 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-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR ALDH1A1 1919/4885POLB 2959/4885DGAT2 3376/4885

“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.