SCHEMBL4928239

SCHEMBL4928239

COc1ccc2nc(Cl)c(OC)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
KMT2A Q03164 4/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 3/20 0.59
POLB P06746 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 1/20 0.59
NQO2 P16083 1/20 0.59
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
BLM P54132 2/20 0.47
CASP6 P55212 1/20 0.47
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
PTPN7 P35236 1/20 0.46
HTT P42858 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
SCHEMBL1160610 0.89 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL31399998 0.89 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL6935605 0.87 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL17848984 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL3602260 0.84 HRH4 (0.56) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL6304236 0.84 HRH4 (0.56) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL622219 0.82 KDM4E (0.59) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL13728348 0.82 KDM4E (0.59) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL4928778 0.82 NQO2 (0.50) ALDH1A1KDM4EKMT2ARAB9AMEN1
SCHEMBL13728268 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-4623725-A [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives PFIZER INC. (US) 1986-11-18 US disclosed
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed
EP-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP 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 ALDH1A1 1028/4885KDM4E 502/4885KMT2A 549/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS ALDH1A1 663/4885KDM4E 843/4885KMT2A 814/4885

“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.