SCHEMBL2086932

SCHEMBL2086932

CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.43
CBFB Q13951 1/20 0.41
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RIPK1 Q13546 1/20 0.35
PRMT5 O14744 1/20 0.35
GBA1 P04062 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL2087030 0.91 GCK (0.46) GCKRARARARBRIPK1
SCHEMBL709496 0.89 PRMT5 (0.44) GCKCBFBPRMT5CYP3A4
SCHEMBL711181 0.88 GCK (0.45) GCKCBFB
SCHEMBL711559 0.87 GCK (0.46) GCKCBFBKDM4EALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL713011 0.84 GCK (0.44) GCKCBFBPRMT5
SCHEMBL10206659 0.83 DHODH (0.41) GCKCBFBPRMT5KDM4ENPC1
SCHEMBL2086747 0.83 PRMT5 (0.41) GCKRARARARBPRMT5CYP3A4
Trifluoroacetic Acid SCHEMBL720615 0.82 GCK (0.45) GCKCBFBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10206658 0.82 NOS3 (0.38) GCKCBFBPRMT5CYP3A4
SCHEMBL9072500 0.82 CBFB (0.36) GCKCBFBKDM4ENPC1ALDH1A1

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
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

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 GCK 1/4885CBFB 2802/4885RARA 2660/4885

“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.