SCHEMBL21676355

SCHEMBL21676355

O=c1[nH]c2ccc(N3CCc4sccc4C3)cc2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 3/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LCK P06239 2/20 0.37
FLT3 P36888 1/20 0.37
MAP4K1 Q92918 1/20 0.37
IP6K1 Q92551 1/20 0.36
CTSC P53634 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL21676444 0.71 LGMN (0.47) MEN1KMT2APOLBBLMKDM4E
SCHEMBL18415538 0.71 KCNQ2 (0.48) KCNQ2MEN1KMT2APOLBKDM4E
SCHEMBL28921395 0.70 DRD4 (0.47) KCNQ2MEN1KMT2AKDM4ECTSC
SCHEMBL21676438 0.69 OPRM1 (0.52) MEN1KMT2APOLBBLMKDM4E
SCHEMBL21676356 0.68 KDM4E (0.43) KCNQ2MEN1KMT2AROCK2KDM4E
SCHEMBL6500658 0.64 KCNQ2 (0.45) KCNQ2CTSCHSD17B10
SCHEMBL21676440 0.62 ALDH1A1 (0.47) MEN1KMT2APOLBKDM4EGRIN2D
SCHEMBL2549678 0.62 KIF11 (0.48) MEN1KMT2APOLBBLMKDM4E
SCHEMBL14234286 0.61 DRD3 (0.57) MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL15092633 0.61 KIF11 (0.47) MEN1KMT2APOLBBLMKDM4E

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 KCNQ2 1496/4885MEN1 1262/4885KMT2A 276/4885
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 KCNQ2 1854/4885MEN1 1356/4885KMT2A 339/4885

“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.