SCHEMBL2646196

SCHEMBL2646196

O=C(Nc1nncs1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.49
KCNH2 Q12809 3/20 0.47
GCK P35557 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNQ2 O43526 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL2658486 1.00 FFAR2 (0.49) FFAR2KCNH2GCKSMN1; SMN2SLC6A3
SCHEMBL1419037 0.84 GCK (0.51) FFAR2KCNH2GCKSMN1; SMN2KDM4E
SCHEMBL2645075 0.83 FFAR2 (0.72) FFAR2KCNH2GCK
SCHEMBL1420087 0.83 GCK (0.59) FFAR2KCNH2GCK
SCHEMBL2645076 0.83 FFAR2 (0.72) FFAR2KCNH2GCK
SCHEMBL2657079 0.83 FFAR2 (0.72) FFAR2KCNH2GCK
SCHEMBL2645954 0.83 GCK (0.49) FFAR2KCNH2GCK
SCHEMBL2659151 0.83 GCK (0.49) FFAR2KCNH2GCK
SCHEMBL6561897 0.82 FFAR2 (0.48) FFAR2KCNH2GCKSLC6A3KCNQ2
SCHEMBL2647166 0.82 POLB (0.49) FFAR2KCNH2GCKALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP claimed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US claimed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US claimed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (4 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR2 1513/4885KCNH2 1022/4885GCK 2/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR2 1419/4885KCNH2 1062/4885GCK 2/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR2 1513/4885KCNH2 1022/4885GCK 2/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK FFAR2 1513/4885KCNH2 1022/4885GCK 2/4885

“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.