SCHEMBL2658280

SCHEMBL2658280

c1ccc(Oc2ccc(Nc3nccs3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
SRC P12931 1/20 0.40
BTK Q06187 1/20 0.40
LTA4H P09960 1/20 0.40
SYK P43405 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
Acetic Acid SCHEMBL3040692 0.92 RAB9A (0.47) SCN9AMEN1KMT2AACACBACACA
SCHEMBL2658373 0.82 SYK (0.46) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL27791948 0.81 NPC1 (0.50) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL13822848 0.77 RAB9A (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13822849 0.77 GCK (0.57) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL3048424 0.75 SYK (0.60) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL2669505 0.74 MAPT (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1135241 0.74 ALDH1A1 (0.52) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL2657834 0.73 POLB (0.59) SCN9AMEN1KMT2ANPC1RAB9A
SCHEMBL29933008 0.73 MECP2 (0.54) MEN1KMT2ANPC1RAB9ATP53

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 13 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-20100216794-A1 PYRIDINE DERIVATIVES USEFUL AS GLUCOKINASE ACTIVATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-08-26 US 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 SCN9A 2242/4885MEN1 3873/4885KMT2A 3563/4885

“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.