SCHEMBL4897692

SCHEMBL4897692

Cc1ccc(NC(=O)OC(C)(C)C)c(C(=O)Nc2nc(C(F)(F)F)cs2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
GRM5 P41594 2/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR2 O15552 1/20 0.40

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
SCHEMBL23703017 0.82 FFAR2 (0.48) NPC1RAB9ALMNANPSR1KDM4E
SCHEMBL4905818 0.82 METAP1 (0.45) METAP1NPC1RAB9ALMNAKDM4E
SCHEMBL4905472 0.82 ADORA1 (0.51) METAP1NPC1RAB9AALDH1A1MAPT
SCHEMBL4909182 0.78 METAP1 (0.45) METAP1GRM5
SCHEMBL4911124 0.77 METAP1 (0.47) METAP1NPC1RAB9AKDM4EHTT
SCHEMBL19370082 0.74 ATAD2 (0.45) NPC1RAB9ALMNANPSR1KDM4E
SCHEMBL3389491 0.74 METAP1 (0.43) METAP1NPC1RAB9AHTTMAPT
SCHEMBL5207892 0.74 METAP1 (0.44) METAP1NPC1RAB9ALMNAKDM4E
SCHEMBL264062 0.73 ATR (0.44) METAP1NPSR1HTTHPGDMEN1
SCHEMBL4898143 0.73 GRM5 (0.45) METAP1GRM5

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 4167/4885NPC1 1444/4885RAB9A 1897/4885
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 2893/4885NPC1 911/4885RAB9A 1868/4885

“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.