SCHEMBL9954617

SCHEMBL9954617

COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 2/20 0.55
MAPK13 O15264 1/20 0.52
ALOX5 P09917 1/20 0.52
GCGR P47871 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
NR4A2 P43354 1/20 0.51
MAP2K4 P45985 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS1 P23219 1/20 0.51
MAPK1 P28482 1/20 0.51
KDR P35968 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MMP2 P08253 1/20 0.50

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
SCHEMBL17184393 0.91 BRD4 (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL10211619 0.88 SIRT2 (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1458088 0.88 KDM4E (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL10210066 0.87 KDM4E (0.53) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL10211596 0.87 KDM4E (0.62) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL10210073 0.87 ADORA3 (0.47) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL17184390 0.85 NR4A2 (0.70) KDM4EALDH1A1MAPK13ALOX5MAPK12
SCHEMBL17184364 0.82 BRD4 (0.44) KDM4ELMNAPARP1MAPK13ALOX5
SCHEMBL17184394 0.81 MAPT (0.61) KDM4EALDH1A1LMNAHTTMAPK14
SCHEMBL10268472 0.80 SIRT2 (0.60) KDM4EALDH1A1LMNAHTTL3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144742-B2 Quinoxaline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-12-04 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
EP-2661428-B1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
EP-3131881-A1 QUINOXALINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-02-22 EP disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
CN-103702985-B As CRTH 2the quinoxaline of receptor modulators and azaquinoxaline MERCK SHARP & DOHME CORP. (US) 2016-02-17 CN disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
CN-103702985-A Quinoxalines and aza-quinoxalines as crth2 receptor modulators MERCK SHARP & DOHME 2014-04-02 CN disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
US-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME LLC 2013-11-14 US disclosed
EP-2661428-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2013-11-13 EP disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
WO-2012087861-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 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 (3 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-20130303517-A1 QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS HRH2, NPY2R, CNKSR1 KDM4E 1506/4885ALDH1A1 1713/4885LMNA 3865/4885
US-10144742-B2 Quinoxaline compounds and uses thereof NAMPT, NQO2, NNMT KDM4E 416/4885ALDH1A1 1374/4885LMNA 3814/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT KDM4E 416/4885ALDH1A1 1374/4885LMNA 3814/4885

“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.