SCHEMBL25069002

SCHEMBL25069002

CC(C)N1CCC(Nc2cc(CN[C@@H](C)C(C)(C)C)cc(Nc3nc4cccnc4s3)n2)C1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 6/20 0.75
AURKB Q96GD4 5/20 0.43
LCK P06239 4/20 0.43
SSTR5 P35346 1/20 0.39
RORC P51449 1/20 0.35
DHODH Q02127 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCK P08631 2/20 0.31
BTK Q06187 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
NSD2 O96028 1/20 0.30
GBA1 P04062 1/20 0.30
WHR1 P49842 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL25069001 1.00 ITK (0.75) ITKAURKBLCKSSTR5RORC
SCHEMBL23409058 0.91 ITK (0.76) ITKAURKBLCKSSTR5RORC
SCHEMBL25069003 0.91 ITK (0.76) ITKAURKBLCKSSTR5RORC
SCHEMBL20767484 0.86 ITK (1.00) ITKAURKBLCKRORCDHODH
SCHEMBL20767487 0.86 ITK (1.00) ITKAURKBLCKRORCDHODH
SCHEMBL20767486 0.86 ITK (1.00) ITKAURKBLCKRORCDHODH
SCHEMBL2398855 0.85 ITK (0.70) ITKAURKBLCKSSTR5POLB
SCHEMBL2397738 0.85 ITK (0.70) ITKAURKBLCKSSTR5POLB
SCHEMBL2395070 0.85 ITK (0.70) ITKAURKBLCKSSTR5POLB
SCHEMBL2397749 0.85 ITK (0.70) ITKAURKBLCKSSTR5POLB

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 1 patent. 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

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 ITK 1618/4885AURKB 2422/4885LCK 134/4885

“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.