SCHEMBL9960962

SCHEMBL9960962

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CDH1 P12830 1/20 0.54
APC P25054 1/20 0.54
CTNNB1 P35222 1/20 0.54
TCF7L2 Q9NQB0 1/20 0.54
MAP2K4 P45985 1/20 0.45
DHODH Q02127 1/20 0.44
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
NAMPT P43490 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL10212196 0.88 CSNK2A2 (0.54) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL20149547 0.88 CDH1 (0.69) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL9953273 0.84 CDH1 (0.60) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL1233875 0.84 NPC1 (0.50) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL10211177 0.83 CDH1 (0.59) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL10212193 0.81 CSNK2A2 (0.54) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL15378140 0.79 CSNK2A2 (0.46) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL10211620 0.79 CSNK2A2 (0.48) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL15378910 0.78 CSNK2A2 (0.45) CSNK2A2CSNK2BCDH1APCCTNNB1
SCHEMBL15383512 0.77 ERBB2 (0.55) CDH1APCCTNNB1TCF7L2DHODH

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 8 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-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 CSNK2A2 355/4885CSNK2B 543/4885CDH1 2593/4885

“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.