SCHEMBL853992

SCHEMBL853992

O=c1[nH]c2ccccc2nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.61
KDM4E B2RXH2 11/20 0.60
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
ALDH1A1 P00352 6/20 0.56
KHK P50053 1/20 0.56
PDGFRB P09619 1/20 0.56
FGFR1 P11362 1/20 0.56
KDR P35968 1/20 0.56
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA1 P30542 1/20 0.54
HTT P42858 3/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 1/20 0.53
PYGM P11217 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL31495003 0.77 ALDH1A1 (0.58) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL29010071 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL30682553 0.76 PLAUR (1.00) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL30170557 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL1029154 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL29124805 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL16403339 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL1589916 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28487096 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1
SCHEMBL30617972 0.76 PLAUR (0.61) PLAURKDM4ERAB9ANPC1ALDH1A1

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973755-B Preparation method of 3-acetamido quinoxalinone derivative 滨州学院 2020-12-29 CN disclosed
CN-111825717-A Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 阿瑞雅德制药公司 2020-10-27 CN disclosed
EP-2880033-B1 CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2020-06-17 EP disclosed
CN-107108559-B Crystalline forms of 5-chloro-N4- [2- (dimethylphosphoryl) phenyl ] -N2- { 2-methoxy-4- [4- (4-methylpiperazin-1-yl) piperidin-1-yl ] phenyl } pyrimidine-2, 4-diamine 阿瑞雅德制药公司 2020-06-05 CN disclosed
CN-107235923-B Preparation method of 3-aryl quinoxalinone derivatives 河南工业大学 2020-01-21 CN disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 EP disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 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 (4 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-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC PLAUR 1374/4885KDM4E 856/4885RAB9A 2677/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 PLAUR 753/4885KDM4E 1405/4885RAB9A 2683/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC PLAUR 1436/4885KDM4E 691/4885RAB9A 2534/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN PLAUR 1256/4885KDM4E 765/4885RAB9A 2638/4885

“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.