SCHEMBL3333164

SCHEMBL3333164

O=C(O)c1cc(O)c2cccc(F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 1/20 0.46
IGFBP3 P17936 6/20 0.46
AURKA O14965 1/20 0.46
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
ALB P02768 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
IGFBP5 P24593 2/20 0.39
IGFBP1 P08833 1/20 0.38
IGFBP2 P18065 1/20 0.38
IGFBP4 P22692 1/20 0.38
IGFBP6 P24592 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
Xanthurenate SCHEMBL29394132 0.85 KDM4E (0.59) KDM4EKMT2AIGFBP3ALOX15TDP1
Xanthurenate SCHEMBL29911018 0.85 KDM4E (0.59) KDM4EKMT2AIGFBP3ALOX15TDP1
Xanthurenate SCHEMBL379760 0.85 KDM4E (0.59) KDM4EKMT2AIGFBP3ALOX15TDP1
SCHEMBL13977964 0.84 AURKA (0.59) GRM2KDM4EKMT2AIGFBP3AURKA
SCHEMBL8114876 0.83 GPR35 (0.54) GRM2KDM4EKMT2AIGFBP3AURKA
SCHEMBL13857985 0.83 AURKA (0.51) GRM2KDM4EKMT2AIGFBP3AURKA
SCHEMBL30744879 0.83 KDM4E (0.51) GRM2KDM4EKMT2AIGFBP3AURKA
SCHEMBL2222961 0.82 ADORA2A (0.47) GRM2KDM4EADORA2AADORA1MAPT
SCHEMBL6594758 0.81 KDM4E (0.46) KDM4EKMT2AIGFBP3ALOX15TDP1
SCHEMBL2909426 0.81 KDM4E (0.49) KDM4EKMT2AIGFBP3ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
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-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-9278960-B2 Quinoline carboxamide and quinoline carbonitrile derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-03-08 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
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed
EP-1000060-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999002528-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 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 (5 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 GRM2 1394/4885KDM4E 1525/4885KMT2A 1882/4885
US-20160159744-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B GRM2 6/4885KDM4E 1820/4885KMT2A 437/4885
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL GRM2 3147/4885KDM4E 1006/4885KMT2A 1384/4885
US-20160158217-A1 Quinoline Carboxamide and Quinoline Carbonitrile Derivatives as mGluR2-Negative Allosteric Modulators, Compositions, and Their Use GRIN2A, GRIA2, GRIN2B GRM2 6/4885KDM4E 1820/4885KMT2A 437/4885
US-20140309227-A1 QUINOLINE CARBOXAMIDE AND QUINOLINE CARBONITRILE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIA2, GRIN2B GRM2 6/4885KDM4E 1842/4885KMT2A 436/4885

“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.