SCHEMBL462643

SCHEMBL462643

NNc1nc2ccccc2nc1Cl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 7/20 0.53
MAPT P10636 3/20 0.53
RXFP1 Q9HBX9 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 1/20 0.49
GOT1 P17174 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
NSD2 O96028 1/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.42

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
SCHEMBL19321566 0.84 MAPT (0.63) TDP1KDM4EMAPTL3MBTL1NPSR1
SCHEMBL438327 0.80 PIK3CG (0.46) KDM4EMAPTALDH1A1POLBRAB9A
Salicyladehyde SCHEMBL2801260 0.80 TRIM24 (0.50) TDP1KDM4EMAPTRXFP1L3MBTL1
SCHEMBL14067142 0.78 TDP1 (0.58) TDP1KDM4EMAPTRXFP1L3MBTL1
SCHEMBL10846397 0.78 PGK1 (0.44) GOT1
SCHEMBL23234459 0.77 HTT (0.43) KDM4ERXFP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10846446 0.77 RXFP1 (0.45) TDP1KDM4EMAPTRXFP1L3MBTL1
SCHEMBL437073 0.77 NQO2 (0.48) TDP1KDM4EMAPTRXFP1L3MBTL1
SCHEMBL14828909 0.77 GOT1 (0.40) TDP1KDM4EMAPTRXFP1L3MBTL1
SCHEMBL29451077 0.75 TDP1 (1.00) TDP1KDM4EMAPTRXFP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102250022-B Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2013-10-16 CN claimed
CN-102250022-A Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2011-11-23 CN claimed
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
EP-3325486-B1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES UNIV ORLEANS (FR) 2023-05-24 EP disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores UNIVERSITE D'ORLEANS (FR) 2021-03-23 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-07-12 US disclosed
US-4780464-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-25 US 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
US-4008322-A RICE BLAST ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3987196-A FUNGISTATS ELI LILLY AND COMPANY (US) 1976-10-19 US disclosed
US-3979387-A PROTECTION OF PLANTS FROM FOLIAR PATHOGENS ELI LILLY AND COMPANY (US) 1976-09-07 US 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-20180194997-A1 POLYNITROGEN COMPOUNDS AND USES THEREOF AS FLUORESCENT CHROMOPHORES PNN, NCL, NUCB2 TDP1 799/4885KDM4E 4460/4885MAPT 4343/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 TDP1 1174/4885KDM4E 210/4885MAPT 2313/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 TDP1 1199/4885KDM4E 250/4885MAPT 2456/4885
US-10954436-B2 Polynitrogen compounds and uses thereof as fluorescent chromophores PNN, NCL, NUCB2 TDP1 799/4885KDM4E 4460/4885MAPT 4343/4885

“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.