SCHEMBL9960458

SCHEMBL9960458

COC(=O)c1ccc2nc(-c3cccc(F)c3)c(Cl)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.48
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
GABRA5 P31644 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TNF P01375 1/20 0.44
LMNA P02545 1/20 0.44
NR2F2 P24468 1/20 0.44
MCL1 Q07820 1/20 0.44
KLF5 Q13887 1/20 0.44
NOD1 Q9Y239 1/20 0.44
MAPK14 Q16539 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL1459138 0.87 NAMPT (0.54) NAMPTDHODHKDM4EGAAMAPT
SCHEMBL1458707 0.87 NAMPT (0.54) NAMPTDHODHKDM4EGAAMAPT
SCHEMBL1459040 0.87 ALDH1A1 (0.57) KDM4EGAAMAPTHTTHPGD
SCHEMBL9960774 0.87 ALDH1A1 (0.57) KDM4EGAAMAPTHTTHPGD
SCHEMBL9953273 0.82 CDH1 (0.60) NAMPTDHODHKDM4EGAAMAPT
SCHEMBL1458746 0.81 ALDH1A1 (0.44) NAMPTDHODHKDM4EGAAMAPT
SCHEMBL10211635 0.81 KDM4E (0.59) NAMPTDHODHKDM4EGAAMAPT
SCHEMBL30133943 0.79 CSNK2A1 (0.56) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL5349000 0.79 CSNK2A1 (0.56) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL9953914 0.79 CSNK2A2 (0.47) NAMPTDHODHKDM4EGAAMAPT

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 NAMPT 1490/4885DHODH 1001/4885KDM4E 1506/4885

“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.