SCHEMBL21676336

SCHEMBL21676336

COc1ccc2[nH]c(=O)c(=O)[nH]c2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.50
GRIN3B O60391 9/20 0.50
GRIN1 Q05586 9/20 0.50
GRIN2A Q12879 9/20 0.50
GRIN2B Q13224 9/20 0.50
GRIN2C Q14957 9/20 0.50
GRIN3A Q8TCU5 9/20 0.50
THRB P10828 2/20 0.42
KDM4E B2RXH2 2/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL1135906 0.74 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22198968 0.73 NQO2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18549573 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29153231 0.71 CA12 (0.49) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL22184948 0.71 ALDH1A1 (0.44) THRBKDM4EMAPK1NPSR1PDE3B
SCHEMBL22185210 0.70 PDE3B (0.40) KDM4EMAPK1PDE3BPDE3AALDH1A1
SCHEMBL21642314 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10719774 0.69 PDE3B (0.42) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL16431528 0.69 IMPDH2 (0.39) KDM4ES1PR4HSP90AA1MAPTG6PD
SCHEMBL14339474 0.68 KDM4E (0.50) KDM4ES1PR4HSP90AA1MAPTG6PD

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 2 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-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 GRIN2D 4382/4885GRIN3B 3751/4885GRIN1 2316/4885
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 GRIN2D 4401/4885GRIN3B 3824/4885GRIN1 2352/4885

“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.