SCHEMBL23409081

SCHEMBL23409081

Nc1cc(Nc2nc(NC3CCOCC3)ncc2Cl)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.52
▸ MAPK3 P27361 2/20 0.52
▸ CTSC P53634 1/20 0.50
▸ CDK7 P50613 5/20 0.43
▸ CDK9 P50750 4/20 0.43
▸ SYK P43405 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ PKMYT1 Q99640 1/20 0.42
▸ BCL6 P41182 1/20 0.42
▸ PLK4 O00444 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
SCHEMBL23408957 0.87 MAPK1 (0.53) MAPK1MAPK3CTSCCDK7CDK9
SCHEMBL29499572 0.85 MAPK1 (0.56) MAPK1MAPK3CTSCCDK7CDK9
SCHEMBL28744841 0.85 MAPK1 (0.56) MAPK1MAPK3CTSCCDK7CDK9
SCHEMBL25068865 0.84 MAPK1 (0.51) MAPK1MAPK3CTSCCDK7CDK9
SCHEMBL23409118 0.78 MAPK3 (0.67) MAPK1MAPK3CDK7CDK9PIK3CD
SCHEMBL23409080 0.77 MAPK1 (0.46) MAPK1MAPK3CTSCCDK7CDK9
SCHEMBL23408943 0.74 MAPK1 (0.67) MAPK1MAPK3CDK7CDK9
SCHEMBL25068864 0.72 MAPK3 (0.64) MAPK1MAPK3CDK7CDK9
SCHEMBL25068863 0.72 MAPK3 (0.66) MAPK1MAPK3CDK7CDK9PIK3CD
SCHEMBL25068958 0.72 MAPK1 (0.64) MAPK1MAPK3CDK7CDK9

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 MAPK1 4417/4885MAPK3 3458/4885CTSC 279/4885

“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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