SCHEMBL4911073

SCHEMBL4911073

Cc1ccc(Nc2cc(C)nn2C)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GFER P55789 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.37
NTRK1 P04629 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ATR Q13535 1/20 0.36
KDM1A O60341 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP3K5 Q99683 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 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
SCHEMBL4911289 0.84 PDE10A (0.40) PDE10ABRD4CREBBP
SCHEMBL4905897 0.83 HPGD (0.48) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL4908203 0.81 MAPK1 (0.39) MEN1KMT2AMAPTPDE10AMAPK3
SCHEMBL5469997 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL5253749 0.76 GFER (0.61) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL4900489 0.75 GRM5 (0.44) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL11707284 0.75 CLCN2 (0.47) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL11709383 0.74 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL2832103 0.74 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EHTTMEN1KMT2A
SCHEMBL4907684 0.73 GRM5 (0.49) SMN1; SMN2KDM4EMEN1KMT2AHSD17B10

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 14 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-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 SMN1; SMN2 181/4885KDM4E 702/4885HTT 1397/4885
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 SMN1; SMN2 2636/4885KDM4E 965/4885HTT 436/4885

“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.