SCHEMBL21676253

SCHEMBL21676253

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.40
BRD4 O60885 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
ADAM17 P78536 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C3 P42330 1/20 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
SCHEMBL21676255 0.80 CASP6 (0.42) CASP6BRD4SIGMAR1ADAM17TSHR
SCHEMBL23835777 0.77 ADAM17 (0.40) CASP6SIGMAR1ADAM17MEN1KMT2A
SCHEMBL14231022 0.75 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2POLBAKR1C3
SCHEMBL21676257 0.74 CASP6 (0.37) CASP6BRD4SIGMAR1TSHRMEN1
SCHEMBL27753487 0.73 SIGMAR1 (0.42) BRD4SIGMAR1AKR1C3
SCHEMBL4374290 0.71 HRH3 (0.45) MEN1KMT2A
SCHEMBL21676254 0.71 SMN1; SMN2 (0.51) CASP6ADAM17TSHRKMT2ASMN1; SMN2
SCHEMBL22117778 0.71 SIGMAR1 (0.38) SIGMAR1AKR1C3
SCHEMBL3118819 0.70 MMP3 (0.34) AKR1C3
SCHEMBL27753490 0.68 TYMP (0.33) BRD4AKR1C3

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 3829/4885BRD4 1/4885SIGMAR1 4590/4885
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 3625/4885BRD4 1/4885SIGMAR1 4408/4885

“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.