SCHEMBL4907684

SCHEMBL4907684

Cc1ccc(Nc2ccccc2)c(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
MAPT P10636 5/20 0.46
GFER P55789 1/20 0.46
NGLY1 Q96IV0 1/20 0.46
PDE10A Q9Y233 2/20 0.46
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
FABP4 P15090 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GBA1 P04062 1/20 0.43
GUSB P08236 1/20 0.43

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
SCHEMBL4908858 0.86 NPC1 (0.43) GRM5PDE10AKDM4EALDH1A1NPC1
SCHEMBL4908197 0.85 GRM5 (0.68) GRM5MAPTPDE10AALDH1A1NPC1
SCHEMBL4909260 0.84 NPC1 (0.50) GRM5MAPTKDM4EHSD17B10NPC1
SCHEMBL4907660 0.83 PDE10A (0.57) GRM5PDE10A
SCHEMBL4903400 0.81 GRM5 (0.40) GRM5MAPTPDE10AAKR1C3AKR1C2
SCHEMBL4903459 0.81 NPC1 (0.53) GRM5MAPTALDH1A1HSD17B10NPC1
SCHEMBL4908908 0.79 GRM5 (0.46) GRM5MAPTGFERPDE10AAKR1C3
SCHEMBL3572829 0.79 KDM4C (0.41) GRM5MAPTPDE10AALDH1A1RAB9A
SCHEMBL4905312 0.78 IRAK4 (0.41) GRM5PDE10AALDH1A1PIM1SMN1; SMN2
SCHEMBL4905436 0.77 KDM4E (0.42) GRM5MAPTPDE10AKDM4EALDH1A1

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-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP claimed
CN-101133027-B Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2011-03-30 CN claimed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
CN-101133027-A Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE (CH) 2008-02-27 CN claimed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP claimed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO claimed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US claimed
EP-1858854-B1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
CN-101133027-B Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2011-03-30 CN disclosed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 US disclosed
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
CN-101133027-A Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE (CH) 2008-02-27 CN disclosed
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders HOFFMANN-LA ROCHE INC. 2006-09-07 US 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 (2 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-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES CNR2, CNR1, CHRNA2 GRM5 169/4885MAPT 627/4885GFER 1904/4885
US-20060199960-A1 e.g. 6-Methyl-3-(pyridin-3-ylamino)-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide; metabotropic glutamate receptor antagonists (mGluR); central nervous system disorders, antidepressant, anxiolytc agent; psychosis, epilepsy, schizophrenia, Alzheimer's disease, cognitive disorders GRM3, GRM2, GRM1 GRM5 18/4885MAPT 81/4885GFER 2637/4885

“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.