SCHEMBL4921900

SCHEMBL4921900

Nc1nc2cc(Cl)c(Cl)cc2nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.52
NQO1 P15559 1/20 0.50
PGK1 P00558 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MAPK13 O15264 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIM3 Q86V86 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ACHE P22303 1/20 0.36
NQO2 P16083 1/20 0.35
CASP6 P55212 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL121613 0.81 CYP3A4 (0.48) GLP1RNQO1PGK1NQO2GAA
SCHEMBL121409 0.81 NQO1 (0.46) GLP1RNQO1PGK1GAAKDM4E
SCHEMBL405486 0.81 TDP1 (0.50) GLP1RPGK1MMP1MMP2MMP3
SCHEMBL29558616 0.81 TDP1 (0.50) GLP1RPGK1MMP1MMP2MMP3
SCHEMBL7698365 0.79 NQO2 (0.50) NQO1NQO2GAAKDM4EALDH1A1
SCHEMBL1138685 0.78 PIK3CG (0.55) NQO1DYRK1AGAAKDM4EALDH1A1
SCHEMBL7237225 0.76 GLP1R (0.48) GLP1RNQO1PGK1MMP1MMP2
SCHEMBL4926286 0.76 PGK1 (0.58) NQO1PGK1ACHENQO2GAA
SCHEMBL121118 0.75 MAPT (0.67) ACHENQO2GAAKDM4EALDH1A1
SCHEMBL1138054 0.74 NQO2 (0.53) NQO1NQO2KDM4EALDH1A1MAPT

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
EP-2509983-B1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY MERCK SHARP & DOHME (US) 2014-09-17 EP 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
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 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 GLP1R 3532/4885NQO1 91/4885PGK1 438/4885
US-20130053390-A1 1-[(6,7-SUBSTITUTED ALKOXYQUINOXALINYL)AMINOCARBONYL]-4-(HETERO)ARYLPIPERAZINE DERIVATIVES HRAS, CDK4, KRAS GLP1R 3250/4885NQO1 63/4885PGK1 594/4885

“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.