SCHEMBL21676385

SCHEMBL21676385

COc1cc2[nH]c(=O)c(=O)[nH]c2cc1OCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 3/20 0.53
RCE1 Q9Y256 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
RAD52 P43351 1/20 0.53
HTR2C P28335 4/20 0.52
HTR2B P41595 3/20 0.52
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
ADORA2A P29274 2/20 0.51
IDH1 O75874 1/20 0.49
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL10318463 0.84 KDM4E (0.51) SYKMAPK1KDM4ERCE1ALDH1A1
SCHEMBL10320741 0.83 KDM4E (0.52) SYKMAPK1KDM4ERCE1ALDH1A1
SCHEMBL16537659 0.83 KDM4E (0.49) SYKMAPK1KDM4ERCE1ALDH1A1
SCHEMBL7095054 0.80 SYK (0.53) SYKHTR2CHTR2BADORA2APOLB
SCHEMBL13849354 0.79 SYK (0.64) SYKALDH1A1HTR2CHTR2BPOLB
SCHEMBL12845584 0.79 SYK (0.64) SYKALDH1A1HTR2CHTR2BPOLB
SCHEMBL21676466 0.78 PARP1 (0.62) KDM4EALDH1A1HSD17B10
SCHEMBL7209967 0.78 KDR (0.52) SYKKDM4E
SCHEMBL4088385 0.77 SYK (0.59) SYKHTR2CHTR2BPOLBCHEK1
SCHEMBL4986709 0.76 SRC (0.54) SYKMAPK1KDM4EALDH1A1ADORA2A

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 SYK 2804/4885MAPK1 2392/4885KDM4E 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 SYK 3100/4885MAPK1 2617/4885KDM4E 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.