SCHEMBL4911289

SCHEMBL4911289

Cc1ccc(Nc2cc(C3CC3)nn2C)c(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KCNJ6 P48051 5/20 0.38
KCNJ3 P48549 5/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
KCNJ5 P48544 2/20 0.36
KCNT1 Q5JUK3 1/20 0.36
IGF1R P08069 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
SCHEMBL4905446 0.86 TP53 (0.41) PDE10ABRD4CREBBPJAK1JAK2
SCHEMBL4911073 0.84 SMN1; SMN2 (0.47) PDE10ABRD4CREBBP
SCHEMBL2826373 0.77 KCNJ6 (0.36) PDE10ABRD4CREBBPKCNJ6KCNJ3
SCHEMBL27690433 0.76 PDE10A (0.35) PDE10ABRD4CREBBPKCNJ6KCNJ3
SCHEMBL4714665 0.75 KCNJ6 (0.48) KCNJ6KCNJ3JAK1JAK2KCNJ5
SCHEMBL4908203 0.74 MAPK1 (0.39) PDE10A
SCHEMBL27596969 0.70 KCNJ6 (0.47) KCNJ6KCNJ3JAK1JAK2KCNJ5
SCHEMBL14401146 0.70 JAK2 (0.43) KCNJ6KCNJ3JAK1JAK2KCNJ5
SCHEMBL4905897 0.69 HPGD (0.48)
SCHEMBL4900489 0.69 GRM5 (0.44) PDE10A

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 PDE10A 397/4885BRD4 603/4885CREBBP 1150/4885
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 PDE10A 2167/4885BRD4 1063/4885CREBBP 745/4885

“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.