Sugi Predict

Sugi Predict / Compounds / SCHEMBL2086138

SCHEMBL2086138

SCHEMBL2086138

COC[C@H](C)Oc1cc(OCc2cccc(OC)c2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HCRTR1 O43613 1/20 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
SCHEMBL2086747 0.91 PRMT5 (0.41) MAOBGCK
SCHEMBL2668031 0.86 GCK (0.37) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL2087030 0.85 GCK (0.46) CCNB2CDK1CCNB1CCNB3GCK
SCHEMBL2085453 0.84 GCK (0.36) MAOBGCK
SCHEMBL2086073 0.83 GCK (0.41) CDK1GCKPDE4B
SCHEMBL2087531 0.83 GCK (0.41) AURKACCNB2CDK1CCNB1GSK3B
SCHEMBL709552 0.82 GCK (0.38) MAPTNPC1RAB9AGCK
SCHEMBL709551 0.82 GCK (0.38) MAPTNPC1RAB9AGCK
SCHEMBL2085435 0.82 GCK (0.38) MAPTNPC1RAB9AGCK
SCHEMBL2085618 0.81 GCK (0.47) ALDH1A1TP53GCK

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 7 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
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
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 — — EP 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
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 AURKA 2801/4885SGMS2 3760/4885CCNB2 1713/4885

“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.