SCHEMBL9953273

SCHEMBL9953273

COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cl)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.60
APC P25054 1/20 0.60
CTNNB1 P35222 1/20 0.60
TCF7L2 Q9NQB0 1/20 0.60
CSNK2A2 P19784 2/20 0.60
CSNK2B P67870 2/20 0.60
MAP2K4 P45985 1/20 0.49
DHODH Q02127 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 3/20 0.47
CSNK2A1 P68400 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 1/20 0.44
RECQL P46063 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
SCHEMBL20149547 0.93 CDH1 (0.69) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL10211635 0.91 KDM4E (0.59) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL1459138 0.90 NAMPT (0.54) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL1458707 0.90 NAMPT (0.54) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL9960774 0.90 ALDH1A1 (0.57) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL1459040 0.90 ALDH1A1 (0.57) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL10211177 0.88 CDH1 (0.59) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL9953914 0.87 CSNK2A2 (0.47) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL15383515 0.85 CDH1 (0.65) CDH1APCCTNNB1TCF7L2CSNK2A2
SCHEMBL5349000 0.84 CSNK2A1 (0.56) CSNK2A2CSNK2BKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-9469615-B2 Quinoxalines and AZA-quinoxalines as CRTH2 receptor modulators MERCK SHARP & DOHME CORP. (US) 2016-10-18 US 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
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 (1 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 CDH1 2593/4885APC 2107/4885CTNNB1 2110/4885

“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.