SCHEMBL2657744

SCHEMBL2657744

CC(=O)OCc1csc(Nc2ccc(Br)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41
KDM1A O60341 1/20 0.41
GCK P35557 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL2657937 0.81 MAPT (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3043516 0.81 GAA (0.51) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2669599 0.80 CCNK (0.42) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2657411 0.79 MEN1 (0.40) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2657168 0.77 CYP1A2 (0.54) MAPTRAB9ANPC1SMN1; SMN2GAA
SCHEMBL28784584 0.76 MEN1 (0.39) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL13822801 0.76 TRPV4 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3028524 0.74 MEN1 (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1063890 0.74 ALDH1A1 (0.42) MAPTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL29630882 0.74 ALDH1A1 (0.42) MAPTRAB9ANPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP claimed
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
US-8420642-B2 Pyridine derivatives useful as glucokinase activators MERCK PATENT GMBH (DE) 2013-04-16 US disclosed
EP-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
EP-2195312-B1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2012-11-21 EP disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
US-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US disclosed
EP-2195312-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-06-16 EP disclosed
WO-2009046784-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
WO-2009046784-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-04-16 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 (1 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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS HK1, GCKR, GCK MAPT 2751/4885RAB9A 3858/4885NPC1 2816/4885

“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.