SCHEMBL25551950

SCHEMBL25551950

Cc1ccc2nc(O)nc(N3CCCC(CNS(C)(=O)=O)C3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 1/20 0.39
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ENPP1 P22413 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ NPY5R Q15761 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL21664264 0.87 PTGS1 (0.45) IRAK1HRH4MAPTPIK3CDPIK3R1
SCHEMBL25551755 0.85 ENPP1 (0.49) IRAK1ENPP1GBA1MAPK1
SCHEMBL21664334 0.79 ENPP1 (0.49) IRAK1ENPP1GBA1
SCHEMBL21456819 0.78 ENPP1 (0.47) IRAK1ENPP1PIK3CDPIK3CAPIK3CB
SCHEMBL25551955 0.77 ENPP1 (0.44) IRAK1AURKAAURKBHRH4ENPP1
SCHEMBL25552447 0.76 IRAK1 (0.40) IRAK1AURKAAURKBMAPTENPP1
SCHEMBL21456821 0.76 NPY5R (0.45) IRAK1AURKAAURKBMAPTPIK3CD
SCHEMBL25551951 0.76 ENPP1 (0.52) IRAK1AURKAAURKBENPP1
SCHEMBL25551831 0.76 ENPP1 (0.48) ENPP1GBA1
SCHEMBL25551832 0.76 ENPP1 (0.46) ENPP1TP53GBA1

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-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2023-09-12 — — US disclosed
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-08 — — 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-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 IRAK1 3059/4885AURKA 4884/4885AURKB 4861/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 IRAK1 3059/4885AURKA 4884/4885AURKB 4861/4885

“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.

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