SCHEMBL21676341

SCHEMBL21676341

O=c1[nH]c2ccc(-n3ccnc3)cc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIK4 Q16099 1/20 0.52
GRIK5 Q16478 1/20 0.52
IDH1 O75874 1/20 0.49
CRBN Q96SW2 2/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
TBXAS1 P24557 1/20 0.49
CYP19A1 P11511 2/20 0.49
IDO1 P14902 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48

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
SCHEMBL7026561 0.79 PRMT5 (0.53) IDH1CRBNPDE3BPDE3ATBXAS1
SCHEMBL8911996 0.79 PGR (0.51) IDH1CRBNPDE3BPDE3ATBXAS1
SCHEMBL4553071 0.78 CYP19A1 (0.54) CRBNPDE3BPDE3ATBXAS1CYP19A1
SCHEMBL23839233 0.78 CYP19A1 (0.53) CRBNPDE3BPDE3ATBXAS1CYP19A1
Hydrochloric Acid SCHEMBL8130929 0.78 PGR (0.47) GRIA1GRIA2GRIA3GRIA4IDH1
SCHEMBL7969712 0.78 PGR (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10464389 0.77 CYP19A1 (0.56) IDH1CRBNPDE3BPDE3ATBXAS1
SCHEMBL8142967 0.77 GRIA1 (0.52) GRIK1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8144466 0.77 GRIA1 (0.67) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7268865 0.77 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4IDH1

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 GRIK1 835/4885GRIA1 1709/4885GRIA2 2156/4885
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 GRIK1 1017/4885GRIA1 1691/4885GRIA2 2250/4885

“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.