SCHEMBL1040939

SCHEMBL1040939

C[C@@H](COC(F)F)Oc1cc(Oc2cnc(C(=O)N(C)C)cn2)cc(C(=O)Nc2ccn(C(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.56
CYP1A2 P05177 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.39
RARG P13631 1/20 0.38

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
SCHEMBL2669073 0.92 GCK (0.59) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1426924 0.89 GCK (0.60) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL12781684 0.89 GCK (0.60) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1041338 0.88 GCK (0.61) GCKKCNH2
SCHEMBL1043189 0.84 GCK (0.53) GCKRARG
SCHEMBL1042657 0.81 GCK (0.64) GCKKCNH2RARG
SCHEMBL1044081 0.81 GCK (0.55) GCKKCNH2
SCHEMBL12811382 0.80 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL2667167 0.80 GCK (0.61) GCKCYP1A2ABCB1CYP3A4CYP2C8
SCHEMBL1426930 0.80 GCK (0.53) GCKCYP1A2ABCB1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2272834-A1 Benzoyl amino heterocyclyl compounds as glucokinase (GLK) activators AstraZeneca AB (SE) 2011-01-12 EP disclosed
EP-2272834-A1 Benzoyl amino heterocyclyl compounds as glucokinase (GLK) activators AstraZeneca AB (SE) 2011-01-12 EP disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 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 (2 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-20080318968-A1 Chemical Compounds GCKR, GCK, HK1 GCK 2/4885CYP1A2 515/4885ABCB1 1917/4885
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES GCK, GCKR, HK1 GCK 1/4885CYP1A2 204/4885ABCB1 953/4885

“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.