SCHEMBL23408985

SCHEMBL23408985

CN(CCNc1ncnc2[nH]ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 3/20 0.47
TTBK2 Q6IQ55 3/20 0.47
BTK Q06187 4/20 0.45
JAK3 P52333 2/20 0.45
PTK2 Q05397 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
JAK1 P23458 3/20 0.43
AAK1 Q2M2I8 1/20 0.43
JAK2 O60674 2/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL29729063 1.00 TTBK1 (0.47) TTBK1TTBK2BTKJAK3PTK2
SCHEMBL23409026 0.81 BTK (0.50) TTBK1TTBK2BTKJAK3HDAC6
SCHEMBL29729087 0.81 BTK (0.50) TTBK1TTBK2BTKJAK3HDAC6
SCHEMBL1231308 0.80 MAP3K14 (0.43) TTBK1TTBK2JAK3RET
SCHEMBL23409023 0.78 GAA (0.57) TTBK1TTBK2BTKPTK2HDAC6
SCHEMBL25069052 0.76 JAK3 (0.42) TTBK1TTBK2JAK3JAK1JAK2
SCHEMBL22909511 0.74 TTBK1 (0.53) TTBK1TTBK2BTKPTK2HDAC6
SCHEMBL16793608 0.74 BTK (0.54) BTKJAK3PTK2JAK1JAK2
SCHEMBL14907681 0.74 NUDT1 (0.38) BTKJAK3PTK2JAK1AAK1
SCHEMBL25069005 0.73 TTBK1 (0.52) TTBK1TTBK2BTKPTK2HDAC6

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-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

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 TTBK1 3603/4885TTBK2 2919/4885BTK 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.