SCHEMBL2642268

SCHEMBL2642268

CSc1ccc(C(C[C@H]2CCCO2)C(=O)Nc2cnccn2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GCK P35557 3/20 0.42
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CDK5 Q00535 1/20 0.36
STK3 Q13188 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36

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
SCHEMBL2642243 0.88 KCNH2 (0.56) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642242 0.88 KCNH2 (0.56) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642239 0.88 KCNH2 (0.56) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642204 0.86 KCNH2 (0.59) KCNH2GCKGAATHRBDYRK3
SCHEMBL14436824 0.86 KCNH2 (0.59) KCNH2GCKGAATHRBDYRK3
SCHEMBL14423107 0.86 KCNH2 (0.59) KCNH2GCKGAATHRBDYRK3
SCHEMBL14423117 0.84 KCNH2 (0.61) KCNH2GCKGAATHRBPOLB
SCHEMBL2642103 0.84 KCNH2 (0.61) KCNH2GCKGAATHRBPOLB
SCHEMBL2642051 0.81 HPGD (0.40) GAATSHRHPGDKDM4EALDH1A1
SCHEMBL2642039 0.78 AKR1C3 (0.38) GAATSHRHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK KCNH2 610/4885GCK 2/4885GAA 585/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK KCNH2 610/4885GCK 2/4885GAA 585/4885

“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.