SCHEMBL21642489

SCHEMBL21642489

COc1cc2nc(Cl)c(Cl)nc2cc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.53
NQO2 P16083 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.41
MAP4K2 Q12851 1/20 0.41
PDGFRB P09619 4/20 0.41
PDGFRA P16234 4/20 0.41
ILK Q13418 2/20 0.37
AMY1A P0DUB6 2/20 0.36
EGFR P00533 1/20 0.36
ENPP1 P22413 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL31399948 1.00 PGK1 (0.53) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15646548 0.89 PGK1 (0.47) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15646537 0.89 PGK1 (0.47) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL31530749 0.85 PGK1 (0.68) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1291729 0.85 PGK1 (0.68) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15647009 0.85 PGK1 (0.47) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15647844 0.85 PGK1 (0.44) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15647145 0.85 PGK1 (0.48) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15647403 0.85 PGK1 (0.44) PGK1NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15646515 0.85 PGK1 (0.48) PGK1NQO2KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-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 PGK1 1153/4885NQO2 486/4885KDM4E 210/4885
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 PGK1 1483/4885NQO2 640/4885KDM4E 250/4885

“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.