SCHEMBL4908439

SCHEMBL4908439

Cc1cc(NC(=O)c2nc(C)ccc2NC(=O)OC(C)(C)C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
GRM5 P41594 4/20 0.43
SORT1 Q99523 3/20 0.43
ATR Q13535 1/20 0.41
HDAC4 P56524 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PRKCI P41743 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL4903455 0.91 SMARCA2 (0.48) METAP1SMARCA2SMARCA4GRM5SORT1
SCHEMBL30293080 0.83 SMARCA2 (0.57) SMARCA2SMARCA4SORT1ATRMEN1
SCHEMBL16055308 0.83 SMARCA2 (0.57) SMARCA2SMARCA4SORT1ATRMEN1
SCHEMBL2828472 0.80 GRM5 (0.62) METAP1SMARCA2SMARCA4GRM5SORT1
SCHEMBL3389491 0.78 METAP1 (0.43) METAP1ATRMEN1KMT2AMAPT
SCHEMBL264062 0.76 ATR (0.44) METAP1ATRRXFP1MEN1KMT2A
SCHEMBL4903681 0.76 GRM5 (0.48) METAP1GRM5
SCHEMBL4909182 0.75 METAP1 (0.45) METAP1GRM5
SCHEMBL4898143 0.74 GRM5 (0.45) METAP1GRM5
SCHEMBL4907676 0.74 GRM5 (0.50) METAP1GRM5MAPT

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 6 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 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 METAP1 4167/4885SMARCA2 1690/4885SMARCA4 2193/4885
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 METAP1 2893/4885SMARCA2 2965/4885SMARCA4 2865/4885

“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.