SCHEMBL4907747

SCHEMBL4907747

CCOC(=O)c1nc(C)ccc1Nc1cnn(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.47
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
AURKB Q96GD4 1/20 0.40
TP53 P04637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PDE4A P27815 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4905312 0.84 IRAK4 (0.41) JAK3JAK2JAK1AURKBIRAK4
SCHEMBL2160799 0.80 PDE10A (0.49) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL4908390 0.78 HPGD (0.42) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL4908166 0.77 GRM5 (0.61) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL4906900 0.77 RAB9A (0.44) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL30667811 0.75 JAK3 (0.46) JAK3JAK2JAK1RAB9AMEN1
SCHEMBL5200903 0.75 PDE10A (0.55) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL23293168 0.75 MEN1 (0.45) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL30616700 0.75 MEN1 (0.45) RAB9AMEN1KMT2ATHRBKDM4E
SCHEMBL30667764 0.75 JAK3 (0.47) JAK3JAK2JAK1RAB9AKDM4E

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 JAK3 1375/4885JAK2 907/4885JAK1 1337/4885
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 JAK3 1262/4885JAK2 1390/4885JAK1 1915/4885

“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.