SCHEMBL4908792

SCHEMBL4908792

CCOC(=O)c1nc(C(C)(C)O[SiH2]C(C)(C)C)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
BRD4 O60885 1/20 0.37
KCNQ4 P56696 2/20 0.36
KCNQ5 Q9NR82 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
METAP1 P53582 1/20 0.34
ATM Q13315 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL4908993 0.81 BRD4 (0.44) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL5189642 0.78 ALOX15 (0.41) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL4908251 0.78 BRD4 (0.41) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL4908220 0.75 BRD4 (0.39) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL4908781 0.73 BRD4 (0.38) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL4906896 0.72 BRD4 (0.70) MAPTBRD4ALDH1A1CYP1A2CYP2C9
SCHEMBL264062 0.71 ATR (0.44) NPSR1BRD4METAP1ELANECTRB1
SCHEMBL27474401 0.69 SMN1; SMN2 (0.44) MAPTKCNQ4KCNQ5ALDH1A1ALOX15
SCHEMBL27248865 0.69 POLB (0.41) MAPTKDM4ENPSR1BRD4KCNQ4
SCHEMBL26921777 0.69 ALDH1A1 (0.39) MAPTKDM4ENPSR1BRD4KCNQ4

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 MAPT 627/4885KDM4E 702/4885NPSR1 45/4885
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 MAPT 81/4885KDM4E 965/4885NPSR1 223/4885

“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.