SCHEMBL2651985

SCHEMBL2651985

O=C(Nc1nc2c(s1)CCCC2)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.60
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
KCNH2 Q12809 3/20 0.45
TP53 P04637 5/20 0.44
FFAR2 O15552 1/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL2650642 0.81 MEN1 (0.54) GCKMAPTKCNH2TP53FFAR2
SCHEMBL2650645 0.81 MEN1 (0.54) GCKMAPTKCNH2TP53FFAR2
SCHEMBL2650798 0.79 CLK1 (0.49) GCKMAPTKCNH2POLBNPC1
SCHEMBL2647166 0.78 POLB (0.49) GCKKCNH2FFAR2POLBNPC1
SCHEMBL2648959 0.78 GCK (0.58) GCKKCNH2FFAR2NPC1RAB9A
SCHEMBL2658486 0.78 FFAR2 (0.49) GCKLMNAKCNH2FFAR2NPC1
SCHEMBL2657079 0.78 FFAR2 (0.72) GCKMAPTKCNH2FFAR2POLB
SCHEMBL2645075 0.78 FFAR2 (0.72) GCKMAPTKCNH2FFAR2POLB
SCHEMBL2645076 0.78 FFAR2 (0.72) GCKMAPTKCNH2FFAR2POLB
SCHEMBL2646196 0.78 FFAR2 (0.49) GCKLMNAKCNH2FFAR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 EP claimed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US claimed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US claimed
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 EP disclosed
EP-1341774-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
US-6545155-B2 Useful for increasing insulin secretion in the treatment of type II diabetes HOFFMANN-LA ROCHE INC. 2003-04-08 US disclosed
US-6448399-B1 3-CYCLOALKYL- OR PROPYL-2-(3,4-DIHALOPHENYL)-N-QUINOLINYL-, QUINAZOLINYL-, OR QUINOXOLINYL-PROPIONAMIDE. HOFFMANN-LA ROCHE INC. 2002-09-10 US disclosed
US-6441184-B1 SUCH AS N-BENZOOXAZOL-2-YL-3-CYCLOPENTYL-2-(4-METHANESULFONYL -PHENYL)-PROPIONAMIDE FOR INCREASING INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GCK 2/4885LMNA 4732/4885MAPT 4353/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 GCK 2/4885LMNA 4732/4885MAPT 4353/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GCK 2/4885LMNA 4732/4885MAPT 4353/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 GCK 2/4885LMNA 4732/4885MAPT 4353/4885

“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.