SCHEMBL1126364

SCHEMBL1126364

COc1cc(C)cc(Br)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
L3MBTL1 Q9Y468 11/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 9/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ERN1 O75460 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL2611542 0.82 ACHE (0.65) ACHEL3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL12561405 0.81 ALOX15 (0.50) ACHEL3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL4694851 0.81 CRHR1 (0.46) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL9880773 0.79 ACHE (0.70) ACHEL3MBTL1MAPTKDM4ELMNA
SCHEMBL3292936 0.77 ALOX5 (0.67) ACHEPOLBMAPTKDM4EALOX5
SCHEMBL15906147 0.77 MAPT (0.55) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL14500126 0.77 ACHE (0.48) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL16632364 0.77 ACHE (0.48) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL12258796 0.77 ACHE (0.59) ACHEL3MBTL1POLBMAPTKDM4E
SCHEMBL5778579 0.76 ACHE (0.40) ACHEMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663594-B2 Synthesis of aryl coupled bis phenoxides and their use in olefin polymerization catalyst systems with activator-supports CHEVRON PHILIPS CHEMICAL COMPANY LP (US) 2017-05-30 US disclosed
US-20160289351-A1 Synthesis of Aryl Coupled BIS Phenoxides and Their Use in Olefin Polymerization Catalyst Systems With Activator-Supports CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-10-06 US disclosed
US-9394387-B2 Synthesis of aryl coupled bis phenoxides and their use in olefin polymerization catalyst systems with activator-supports CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-07-19 US disclosed
US-20150329652-A1 Synthesis of Aryl Coupled BIS Phenoxides and Their Use in Olefin Polymerization Catalyst Systems With Activator-Supports CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-11-19 US disclosed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 US disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 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 (6 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 ACHE 1756/4885L3MBTL1 4384/4885POLB 3386/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK ACHE 2488/4885L3MBTL1 4103/4885POLB 3594/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 ACHE 3642/4885L3MBTL1 3800/4885POLB 1495/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 ACHE 1785/4885L3MBTL1 3356/4885POLB 1579/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK ACHE 2488/4885L3MBTL1 4103/4885POLB 3594/4885
US-20150329652-A1 Synthesis of Aryl Coupled BIS Phenoxides and Their Use in Olefin Polymerization Catalyst Systems With Activator-Supports PPOX, AOC2, AOC3 ACHE 1110/4885L3MBTL1 4380/4885POLB 128/4885

“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.