SCHEMBL21676281

SCHEMBL21676281

CC(C)COC(=O)NC(C)CCC(C)(C)OC(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
ADRA1A P35348 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CTSK P43235 5/20 0.35
HTT P42858 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
ALOX15 P16050 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
SCHEMBL21034480 0.79 CTSK (0.36) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL8253529 0.78 SMN1; SMN2 (0.55) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL21888301 0.75 SMN1; SMN2 (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL19872896 0.73 TSHR (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL20215845 0.73 TSHR (0.42) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL20273063 0.71 CA1 (0.41) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13368519 0.69 SMN1; SMN2 (0.59) TSHRLMNACYP3A4SMN1; SMN2HTT
SCHEMBL5674818 0.69 SMN1; SMN2 (0.50) TSHRLMNACYP3A4TDP1SMN1; SMN2
SCHEMBL22387620 0.69 CTSK (0.35) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL21034491 0.68 CTSK (0.36) TSHRLMNACYP3A4NFKB1ADRA1A

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 TSHR 4063/4885LMNA 1696/4885CYP3A4 3942/4885
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 TSHR 4021/4885LMNA 2098/4885CYP3A4 4269/4885

“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.