SCHEMBL22909510

SCHEMBL22909510

C[C@H]1CC[C@@H](Nc2ncnc3[nH]ccc23)CN1C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.65
JAK1 P23458 3/20 0.65
BTK Q06187 2/20 0.65
TEC P42680 1/20 0.65
TXK P42681 1/20 0.65
BLK P51451 1/20 0.65
BMX P51813 1/20 0.65
ITK Q08881 1/20 0.65
ERBB4 Q15303 1/20 0.65
HPGDS O60760 1/20 0.61
IRAK4 Q9NWZ3 1/20 0.60

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
SCHEMBL23408967 1.00 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL23408959 1.00 JAK3 (0.65) JAK3JAK1BTKTECTXK
SCHEMBL28855720 0.85 JAK3 (0.59) JAK3JAK1BTKTECTXK
SCHEMBL25068962 0.84 JAK3 (0.61) JAK3JAK1BTKTECTXK
SCHEMBL25068917 0.84 JAK3 (0.61) JAK3JAK1BTKTECTXK
SCHEMBL24867427 0.82 JAK3 (0.77) JAK3JAK1BTKTECTXK
SCHEMBL26095750 0.82 JAK3 (0.77) JAK3JAK1BTKTECTXK
SCHEMBL1818948 0.82 HPGDS (0.88) JAK3JAK1BTKTECTXK
SCHEMBL21333438 0.81 JAK3 (0.66) JAK3JAK1BTKTECTXK
SCHEMBL23221794 0.81 JAK3 (0.66) JAK3JAK1BTKTECTXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed
WO-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO 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-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR JAK3 584/4885JAK1 1202/4885BTK 305/4885

“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.