SCHEMBL2651649

SCHEMBL2651649

CSc1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CSNK1D P48730 3/20 0.54
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FFAR2 O15552 1/20 0.47
GCK P35557 6/20 0.46
ACP1 P24666 2/20 0.46
ADORA1 P30542 1/20 0.45
DYRK1A Q13627 1/20 0.45
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44

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
SCHEMBL2652687 0.86 GCK (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2650814 0.86 GCK (0.65) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2650645 0.83 MEN1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2650642 0.83 MEN1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2655854 0.80 GCK (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3566833 0.80 GCK (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2651521 0.79 KCNH2 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2651177 0.79 KCNH2 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2650658 0.79 KCNH2 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2659534 0.79 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1FFAR2

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 11 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 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

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 NPC1 3931/4885RAB9A 3530/4885MEN1 4000/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 NPC1 3931/4885RAB9A 3530/4885MEN1 4000/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 NPC1 3931/4885RAB9A 3530/4885MEN1 4000/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 NPC1 3931/4885RAB9A 3530/4885MEN1 4000/4885

“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.