SCHEMBL21676255

SCHEMBL21676255

CC(C)NC(=O)[C@H](C(C)C)N1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.42
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.32
ADAM17 P78536 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
MMP2 P08253 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL21676257 0.90 CASP6 (0.37) CASP6RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23835777 0.83 ADAM17 (0.40) CASP6RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20440489 0.83 CASP6 (0.42) CASP6RAB9ABRD4
SCHEMBL19000029 0.82 KDM4E (0.42) SMN1; SMN2MEN1KMT2ASIGMAR1TSHR
SCHEMBL23866597 0.82 KDM4E (0.42) SMN1; SMN2MEN1KMT2ASIGMAR1TSHR
SCHEMBL23866609 0.82 KDM4E (0.42) SMN1; SMN2MEN1KMT2ASIGMAR1TSHR
SCHEMBL21676253 0.80 CASP6 (0.40) CASP6RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21676254 0.77 SMN1; SMN2 (0.51) CASP6RAB9ASMN1; SMN2KMT2ATSHR
SCHEMBL21676402 0.76 SMN1; SMN2 (0.33) CASP6RAB9ASMN1; SMN2KMT2ABRD4
SCHEMBL2241005 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2APKMDPP4

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 CASP6 3829/4885RAB9A 1870/4885SMN1; SMN2 4275/4885
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 CASP6 3625/4885RAB9A 1835/4885SMN1; SMN2 4324/4885

“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.