SCHEMBL21664362

SCHEMBL21664362

CS(=O)(=O)NCCC1CCCN(c2ncnc3ccc(C#N)cc23)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 5/20 0.48
▸ IRAK4 Q9NWZ3 9/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL21664243 0.91 IRAK4 (0.48) ENPP1IRAK4LRRK2CYP1A2CYP3A4
SCHEMBL30562966 0.91 IRAK4 (0.48) ENPP1IRAK4LRRK2CYP1A2CYP3A4
SCHEMBL21664324 0.84 ENPP1 (0.49) ENPP1IRAK4SIRT2SIRT1SIRT3
SCHEMBL26229918 0.83 ENPP1 (0.47) ENPP1IRAK4LRRK2PDE3BPDE3A
SCHEMBL26559090 0.79 LRRK2 (0.46) IRAK4LRRK2CYP1A2CYP3A4CLK4
SCHEMBL24064751 0.78 ENPP1 (0.43) ENPP1IRAK4SIRT2SIRT1SIRT3
SCHEMBL21664364 0.78 ENPP1 (0.44) ENPP1SIRT2SIRT1SIRT3PDE10A
SCHEMBL25551755 0.77 ENPP1 (0.49) ENPP1IRAK4CYP1A2CYP3A4CLK4
SCHEMBL21664244 0.76 ENPP1 (0.48) ENPP1CYP1A2CYP3A4CLK4MEN1
SCHEMBL30562899 0.76 HTT (0.50) ENPP1CYP1A2CYP3A4CLK4MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
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
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2022-12-13 — — US disclosed
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2021-12-02 — — US disclosed
US-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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 (5 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-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXN2, TXNRD1 ENPP1 2457/4885IRAK4 3294/4885SIRT2 1152/4885
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 ENPP1 2704/4885IRAK4 3071/4885SIRT2 741/4885
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 ENPP1 2704/4885IRAK4 3071/4885SIRT2 741/4885
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 ENPP1 2704/4885IRAK4 3071/4885SIRT2 741/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 ENPP1 2704/4885IRAK4 3071/4885SIRT2 741/4885

“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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