SCHEMBL9960897

SCHEMBL9960897

COC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
PARP1 P09874 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TNKS O95271 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RAF1 P04049 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
BRD4 O60885 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL1458088 0.90 KDM4E (0.56) KDM4ERAB9ANPC1PARP1SMN1; SMN2
SCHEMBL17184393 0.88 BRD4 (0.56) KDM4ERAB9ANPC1PARP1SMN1; SMN2
SCHEMBL17184425 0.85 KDM4E (0.63) KDM4ERAB9ANPC1PARP1SMN1; SMN2
SCHEMBL3222740 0.83 KDM4E (0.71) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6232942 0.81 NPC1 (0.58) RAB9ANPC1PARP1SMN1; SMN2ALDH1A1
SCHEMBL16938454 0.80 BRD4 (0.61) KDM4ERAB9ANPC1PARP1SMN1; SMN2
SCHEMBL12578243 0.80 ALDH1A1 (0.69) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12004613 0.79 RHEB (0.51) KDM4ERAB9ANPC1PARP1SMN1; SMN2
SCHEMBL10211619 0.78 SIRT2 (0.56) KDM4ERAB9ANPC1PARP1ALDH1A1
SCHEMBL10211229 0.78 KDM4E (0.50) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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 15 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
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
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
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 1506/4885RAB9A 526/4885NPC1 3586/4885
US-10144742-B2 Quinoxaline compounds and uses thereof NAMPT, NQO2, NNMT KDM4E 416/4885RAB9A 787/4885NPC1 4382/4885
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT KDM4E 416/4885RAB9A 787/4885NPC1 4382/4885

“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.