SCHEMBL4899066

SCHEMBL4899066

Cc1ccc(Nc2cncc(Cl)c2)c(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
PDE10A Q9Y233 3/20 0.42
RIPK1 Q13546 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
XDH P47989 3/20 0.37
SLC22A12 Q96S37 3/20 0.37
DHODH Q02127 3/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR4 O95977 1/20 0.36
ACLY P53396 1/20 0.36
TDO2 P48775 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4908908 0.86 GRM5 (0.46) GRM5PDE10AHCAR2XDHSLC22A12
SCHEMBL4906741 0.84 PIK3CA (0.45) GRM5PDE10AHCAR2XDHSLC22A12
SCHEMBL4907660 0.82 PDE10A (0.57) GRM5PDE10A
SCHEMBL4905913 0.81 GRM5 (0.42) GRM5PDE10ALMNATAS2R14SMN1; SMN2
SCHEMBL4908211 0.81 TAS2R14 (0.59) GRM5PDE10ASLC22A12DHODHAKR1C3
SCHEMBL4141530 0.79 HCAR2 (0.40) GRM5PDE10ARIPK1HCAR2XDH
SCHEMBL4908197 0.78 GRM5 (0.68) GRM5PDE10AMEN1LMNAKMT2A
SCHEMBL4907684 0.77 GRM5 (0.49) GRM5PDE10AAKR1C3AKR1C2MEN1
SCHEMBL4905879 0.76 SMARCA2 (0.50) GRM5PDE10AMEN1KMT2A
SCHEMBL4908580 0.75 GRM5 (0.45) GRM5PDE10AAKR1C3MEN1KMT2A

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
CN-101133027-B Pyridine-2-carboxamide derivatives as mglur5 antagonists HOFFMANN LA ROCHE 2011-03-30 CN claimed
US-20080269256-A1 PYRIDINE-2-CARBOXYAMIDE DERIVATIVES JAESCHKE GEORG 2008-10-30 US 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 169/4885PDE10A 397/4885RIPK1 4657/4885
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 18/4885PDE10A 2167/4885RIPK1 1781/4885

“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.