SCHEMBL4902354

SCHEMBL4902354

Cc1csc(Nc2ccc(C)nc2C(=O)O)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.57
▸ RAB9A P51151 8/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.48
▸ NPC1 O15118 7/20 0.48
▸ CCR4 P51679 1/20 0.48
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SORT1 Q99523 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GRM5 P41594 1/20 0.42

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
SCHEMBL5204996 0.76 GRM5 (0.49) GAARAB9AHDAC6NPC1MAPT
SCHEMBL4907684 0.75 GRM5 (0.49) GAARAB9AKMT2ANPC1MAPT
SCHEMBL31267980 0.74 GAA (0.66) GAARAB9AKMT2AHDAC6NPC1
SCHEMBL31268017 0.74 CCR4 (0.56) GAARAB9AKMT2AHDAC6NPC1
SCHEMBL3572829 0.74 KDM4C (0.41) RAB9AKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL11588636 0.73 GAA (0.47) GAARAB9AKMT2AHDAC6NPC1
SCHEMBL2170704 0.72 CCR4 (0.53) GAARAB9AKMT2AHDAC6NPC1
SCHEMBL7873749 0.72 GAA (0.41) GAARAB9ANPC1MAPTALDH1A1
SCHEMBL4907660 0.72 PDE10A (0.57) GRM5
SCHEMBL4908858 0.72 NPC1 (0.43) RAB9AKMT2ANPC1ALDH1A1KDM4E

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 GAA 3481/4885RAB9A 1897/4885KMT2A 792/4885
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 GAA 2257/4885RAB9A 1868/4885KMT2A 364/4885

“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.

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