SCHEMBL4526244

SCHEMBL4526244

N#Cc1cc(Cl)c2ccc(Cl)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PSMB8 P28062 3/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
NR4A2 P43354 2/20 0.41
GRM2 Q14416 1/20 0.41
PSMB5 P28074 1/20 0.40
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CHEK1 O14757 1/20 0.36
ADRB2 P07550 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19610607 0.83 GRM2 (0.42) KDM4EKMT2AMEN1GRM2ACHE
SCHEMBL754965 0.83 LMNA (0.45) KDM4EKMT2AMEN1GRM2BCHE
SCHEMBL17165889 0.80 KDM4E (0.50) KDM4EPSMB8POLBKMT2AMAPK1
SCHEMBL14546188 0.79 GRM2 (0.47) KDM4EGRM2MDM4
SCHEMBL753764 0.79 GRM2 (0.47) KDM4EGRM2MDM4
SCHEMBL757908 0.78 ESR1 (0.47) KDM4EKMT2AMAPK1GRM2ESR1
SCHEMBL28057825 0.77 GRM2 (0.39) KDM4EGRM2MDM4
SCHEMBL27771667 0.77 GRM2 (0.45) GRM2
SCHEMBL5638415 0.75 POLB (0.50) POLBKMT2ANR4A2BCHEACHE
SCHEMBL30415489 0.75 POLB (0.50) POLBKMT2ANR4A2BCHEACHE

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775841-B1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-09-13 EP disclosed
EP-2775841-B1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-09-13 EP disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9663506-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9636337-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-10-16 US disclosed
EP-2775841-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2014-09-17 EP disclosed
WO-2013066736-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
WO-2013066736-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
EP-1934205-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck Frosst Canada Ltd. (CA) 2008-06-25 EP disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO 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 (4 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-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B KDM4E 1820/4885PSMB8 3940/4885POLB 3643/4885
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, LTB4R2 KDM4E 3147/4885PSMB8 1813/4885POLB 2424/4885
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B KDM4E 1820/4885PSMB8 3940/4885POLB 3643/4885
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIA2, GRIN2B KDM4E 1842/4885PSMB8 3917/4885POLB 3619/4885

“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.