SCHEMBL759037

SCHEMBL759037

NC(=O)c1cc(Br)c2ccccc2n1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.70
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL837668 0.86 ALOX15 (0.58) GRM2ALDH1A1
SCHEMBL14933134 0.83 GRM2 (1.00) GRM2
SCHEMBL247555 0.81 GRM2 (0.59) GRM2NCOA1NCOA3ALDH1A1
SCHEMBL9574610 0.81 NCOA1 (0.60) GRM2NCOA1NCOA3
SCHEMBL16832253 0.79 KDM4E (0.58) GRM2
SCHEMBL28139264 0.79 GRM2 (0.57) GRM2NCOA1NCOA3ALDH1A1
Hydrochloric Acid SCHEMBL17769122 0.79 GRM2 (0.57) GRM2NCOA1NCOA3ALDH1A1
SCHEMBL2708959 0.79 GRM2 (0.63) GRM2
SCHEMBL27941539 0.79 GRM2 (0.69) GRM2ALDH1A1
SCHEMBL32681649 0.79 KDM4E (0.52) GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622967-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-01 EP disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 WO 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-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
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
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
CN-104010504-A Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2 negative allosteric modulators, compositions, and uses thereof MERCK SHARP & DOHME 2014-08-27 CN 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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 GRM2 4675/4885NCOA1 1582/4885NCOA3 795/4885
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B GRM2 6/4885NCOA1 86/4885NCOA3 161/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 GRM2 4675/4885NCOA1 1582/4885NCOA3 795/4885
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIA2, GRIN2B GRM2 6/4885NCOA1 87/4885NCOA3 162/4885

“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.