Sugi Predict

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SCHEMBL644244

SCHEMBL644244

Cn1ncc(NC(=O)c2cc(OC3CN(S(C)(=O)=O)C3)c3c(c2)OC(C)(C)C3)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 6/20 0.42
▸ IRAK4 Q9NWZ3 13/20 0.36
▸ GRM5 P41594 1/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ RIPK2 O43353 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ STK38 Q15208 1/20 0.30
▸ HIPK1 Q86Z02 1/20 0.30
▸ STK17A Q9UEE5 1/20 0.30

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
SCHEMBL643315 0.88 GCK (0.44) GCKIRAK4GRM5RIPK2CYP1A2
SCHEMBL643479 0.87 GCK (0.56) GCKIRAK4KCNH2
SCHEMBL642748 0.80 MAPT (0.34) GCKIRAK4GRM5
SCHEMBL2663387 0.80 GCK (0.52) GCKKCNH2
SCHEMBL2644414 0.80 GRM5 (0.32) GCKIRAK4GRM5
SCHEMBL643153 0.79 GCK (0.47) GCKKCNH2
SCHEMBL644150 0.78 GCK (0.52) GCKKCNH2
SCHEMBL644283 0.78 GCK (0.44) GCKKCNH2
SCHEMBL645610 0.78 GCK (0.52) GCKKCNH2
SCHEMBL643014 0.77 GCK (0.51) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463283-A1 Fused phenyl Amido heterocyclic compounds for the prevention and treatment of glucokinase-mediated diseases Pfizer Products Inc. (US) 2012-06-13 — — EP disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 — — US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 — — US disclosed
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 — — US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 — — US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 — — US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 — — US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 — — US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 — — US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 — — 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 (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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 GCK 1/4885IRAK4 1227/4885GRM5 2195/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 GCK 1/4885IRAK4 1227/4885GRM5 2195/4885

“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.