SCHEMBL4928310

SCHEMBL4928310

COc1cc2nc(N)c(OC)nc2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
TLR8 Q9NR97 1/20 0.47
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
SMARCA2 P51531 1/20 0.45
PGK1 P00558 3/20 0.44
NQO1 P15559 1/20 0.42
MEN1 O00255 1/20 0.41
PDPK1 O15530 1/20 0.41
SLC2A1 P11166 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL4926569 0.83 NQO1 (0.42) NQO2ALDH1A1GLAGAAKDM4E
SCHEMBL4916971 0.82 NQO1 (0.41) NQO2ALDH1A1GLAGAAKDM4E
SCHEMBL4925379 0.82 HRH4 (0.49) NQO2ALDH1A1GLAGAAKDM4E
SCHEMBL4926286 0.78 PGK1 (0.58) NQO2ALDH1A1GLAGAAKDM4E
SCHEMBL4930422 0.77 MEN1 (0.59) NQO2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL1138314 0.77 NQO2 (0.50) NQO2ALDH1A1KDM4EHPGDTLR8
SCHEMBL4920558 0.77 NQO2 (0.50) NQO2ALDH1A1KDM4EHPGDTLR8
SCHEMBL1138250 0.77 MEN1 (0.59) NQO2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4684319 0.77 KDM4E (0.58) NQO2ALDH1A1GAAKDM4EHPGD
SCHEMBL1138259 0.76 HRH4 (0.54) ALDH1A1KDM4EKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524436-B 1-[(the alkoxyl group quinoxalinyl that 6,7-replaces) aminocarboxyl]-4-(mixing) aryl piperazine derivative REXAHN PHARMACEUTICALS INC. (US) 2015-09-23 CN disclosed
CN-103524436-A 1-[(3-alkoxy-6-substituted-quinoxalin-2-yl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives REXAHN PHARMACEUTICALS INC 2014-01-22 CN disclosed
US-8598173-B2 1-[(6,7-substituted alkoxyquinoxalinyl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives for treating tumors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-12-03 US disclosed
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS, INC. 2013-02-28 US disclosed
US-8314100-B2 1-[6,7-substituted alkoxyquinoxalinyl)aminocarbonyl]-4-(hetero)arylpiperazine derivatives REXAHN PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives REXAHN PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
CN-101068808-A 1- [ (6, 7-substituted-2-alkoxyquinoxalin-3-yl) aminocarbonyl ] -4- (hetero) arylpiperazine derivatives REXAHN PHARMACEUTICALS INC (US) 2007-11-07 CN disclosed
EP-1819698-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES Rexahn Pharmaceuticals, Inc. (US) 2007-08-22 EP disclosed
WO-2006054830-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES REXAHN PHARMACEUTICALS, INC. (US) 2006-05-26 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 (2 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-20080318963-A1 1-[6,7-Substituted Alkoxyquinoxalinyl) Aminocarbonyl]-4-(Hetero) Arylpiperazine Derivatives HRAS, CDK4, KRAS NQO2 56/4885ALDH1A1 1028/4885GLA 3387/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS NQO2 51/4885ALDH1A1 663/4885GLA 3592/4885

“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.