SCHEMBL21875172

SCHEMBL21875172

Cc1cnc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(F)cc3C)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ KLKB1 P03952 5/20 0.41
▸ P2RX3 P56373 5/20 0.40
▸ P2RX2 Q9UBL9 5/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ SCD O00767 1/20 0.39

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
SCHEMBL21875085 0.88 WDR5 (0.45) WDR5KLKB1P2RX3P2RX2NAMPT
SCHEMBL21875180 0.87 KLKB1 (0.50) ALDH1A1KLKB1P2RX3P2RX2NAMPT
SCHEMBL21875100 0.86 WDR5 (0.46) WDR5P2RX3P2RX2
SCHEMBL21875093 0.86 NAMPT (0.46) WDR5ALDH1A1GRM4KLKB1NAMPT
SCHEMBL21875087 0.86 P2RX3 (0.44) WDR5KLKB1P2RX3P2RX2NAMPT
SCHEMBL21875086 0.85 KLKB1 (0.49) WDR5ALDH1A1KLKB1P2RX3P2RX2
SCHEMBL21875065 0.84 WDR5 (0.47) WDR5GRM4KLKB1P2RX3P2RX2
SCHEMBL21875162 0.84 WDR5 (0.45) WDR5ALDH1A1KLKB1P2RX3P2RX2
SCHEMBL21875168 0.83 KLKB1 (0.47) WDR5ALDH1A1KLKB1P2RX3P2RX2
SCHEMBL21875129 0.82 P2RX3 (0.44) WDR5KLKB1P2RX3P2RX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN claimed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US claimed
CN-113056461-A Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators H.隆德贝克有限公司 2021-06-29 — — CN disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — US disclosed
US-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-04-30 — — 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 (1 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-20200131156-A1 ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS KCNA3, KCNN3, KCNK3 WDR5 2656/4885KDM4E 247/4885ALDH1A1 4451/4885

“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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