SCHEMBL21676262

SCHEMBL21676262

CC(C)NC(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PDCD1LG2 Q9BQ51 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
ALOX5 P09917 1/20 0.41
SLC6A12 P48065 1/20 0.41
GAA P10253 2/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CASP1 P29466 1/20 0.39
EGFR P00533 3/20 0.38
RECQL P46063 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL21676260 0.85 EGFR (0.54) TSHRALOX5GAAALDH1A1ALOX15
SCHEMBL3058844 0.80 SLC6A12 (0.44) SLC6A12GAACASP1EGFRTUBB4A
SCHEMBL29922180 0.78 SLC6A12 (0.36) SLC6A12GAAALDH1A1EGFRRECQL
SCHEMBL29450481 0.77 TUBB4A (0.54) TSHRGAAALDH1A1CASP1TUBB4A
SCHEMBL424747 0.77 TUBB4A (0.54) TSHRGAAALDH1A1CASP1TUBB4A
SCHEMBL22207155 0.76 CA12 (0.47) CD274ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL29686663 0.76 SLC6A12 (0.41) PDCD1LG2CD274SLC6A12KLKB1KLK1
SCHEMBL25027560 0.75 AR (0.50) TSHRGAAALDH1A1ALOX15TP53
SCHEMBL29363618 0.75 AR (0.50) TSHRGAAALDH1A1ALOX15TP53
SCHEMBL28089657 0.75 ADORA2A (0.48)

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 4063/4885PDCD1LG2 2866/4885CD274 3381/4885
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 4021/4885PDCD1LG2 2916/4885CD274 3517/4885

“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.