SCHEMBL5368743

SCHEMBL5368743

COC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.63
CREBBP Q92793 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CSNK2A1 P68400 1/20 0.56
KIF11 P52732 1/20 0.55
BCL6 P41182 1/20 0.53
BCOR Q6W2J9 1/20 0.53
PSMB8 P28062 1/20 0.53
GRIK1 P39086 1/20 0.51
GRIK2 Q13002 1/20 0.51
GRIK3 Q13003 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL474689 0.89 BCL6 (0.64) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL3595605 0.84 SIRT2 (0.64) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL1459044 0.81 ALDH1A1 (0.61) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24247730 0.79 GRIK1 (0.56) KDM4EHSD17B10KIF11GRIK1GRIK2
SCHEMBL3584981 0.79 PARP1 (0.56) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL31017191 0.79 KDM4E (0.54) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL30184030 0.79 PARP1 (0.56) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL14016637 0.79 POLB (0.57) KDM4EGRIK1GRIK2GRIK3TP53
SCHEMBL4725998 0.78 KIF11 (0.84) PARP1CREBBPKDM4EALDH1A1HPGD
SCHEMBL29708168 0.78 KIF11 (0.84) PARP1CREBBPKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601254-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-05-25 EP disclosed
EP-3359533-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-17 EP disclosed
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-09-28 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-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-20200181132-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS NOVALIX (FR) 2020-06-11 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
WO-2017060406-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-04-13 WO disclosed
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 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 (5 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 PARP1 376/4885CREBBP 26/4885KDM4E 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 PARP1 383/4885CREBBP 26/4885KDM4E 250/4885
US-20200181132-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB PARP1 743/4885CREBBP 1745/4885KDM4E 2058/4885
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors PIK3CA, PIK3CD, PIK3CB PARP1 849/4885CREBBP 1979/4885KDM4E 2029/4885
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 PARP1 253/4885CREBBP 4125/4885KDM4E 1369/4885

“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.