SCHEMBL4909014

SCHEMBL4909014

Cc1ccc(Nc2cc(F)cc(C#N)c2)c(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.41
GRM5 P41594 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDH1 O75874 1/20 0.37

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
SCHEMBL4903400 0.87 GRM5 (0.40) CSNK2A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4903459 0.83 NPC1 (0.53) CSNK2A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4905913 0.82 GRM5 (0.42) TAS2R14GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL5201458 0.80 PDE10A (0.47) GRM5NPC1RAB9A
SCHEMBL4909260 0.79 NPC1 (0.50) CSNK2A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4908858 0.78 NPC1 (0.43) CSNK2A1GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL4906741 0.78 PIK3CA (0.45) TAS2R14GRM5NPC1RAB9A
SCHEMBL2830963 0.76 CSNK2A1 (0.45) CSNK2A1GRM5
SCHEMBL5204681 0.75 PDE10A (0.42) GRM5
SCHEMBL4907684 0.73 GRM5 (0.49) GRM5NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414060-B2 Pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US 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
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
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 CSNK2A1 231/4885TAS2R14 1209/4885GRM5 169/4885
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 CSNK2A1 1352/4885TAS2R14 2242/4885GRM5 18/4885

“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.