SCHEMBL21642485

SCHEMBL21642485

COc1cc(C)c2nc(Cl)c3nnc(C)n3c2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.57
▸ PDE2A O00408 10/20 0.42
▸ PDE10A Q9Y233 10/20 0.42
▸ PDE6D O43924 6/20 0.42
▸ PDE6A P16499 6/20 0.42
▸ PDE6G P18545 6/20 0.42
▸ PDE6B P35913 6/20 0.42
▸ PDE6C P51160 6/20 0.42
▸ PDE6H Q13956 6/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL21642513 0.78 BRD4 (0.52) BRD4PDE2APDE10ATP53
SCHEMBL21642537 0.78 BRD4 (0.50) BRD4PDE2APDE10APDE6DPDE6A
SCHEMBL21642544 0.75 BRD4 (0.51) BRD4
SCHEMBL21642542 0.75 BRD4 (0.50) BRD4
SCHEMBL21676455 0.73 BRD4 (1.00) BRD4
SCHEMBL21642427 0.73 BRD4 (0.52) BRD4PDE2APDE10APDE6DPDE6A
SCHEMBL20440149 0.72 BRD4 (0.57) BRD4PDE2APDE10APDE6DPDE6A
SCHEMBL21642530 0.71 BRD4 (0.49) BRD4
SCHEMBL21642520 0.71 ALDH1A1 (0.41) PDE2APDE10APDE3BPDE3A
SCHEMBL21642579 0.70 BRD4 (0.42) BRD4TP53

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 BRD4 1/4885PDE2A 3562/4885PDE10A 3998/4885
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 BRD4 1/4885PDE2A 3726/4885PDE10A 4048/4885

“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.

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