SCHEMBL4154191

SCHEMBL4154191

NS(=O)(=O)c1ccc(CNc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.55
CA1 P00915 10/20 0.53
CA2 P00918 10/20 0.53
CA9 Q16790 10/20 0.53
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
PTGS2 P35354 1/20 0.50

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
SCHEMBL4148374 0.86 HDAC3 (0.64) IKBKBCA1CA2CA9CA12
SCHEMBL3647596 0.82 DKK1 (0.72) IKBKBCA1CA2CA9CA12
SCHEMBL4147267 0.81 KDM4E (0.52) IKBKBCA1CA2CA9CA12
SCHEMBL24334956 0.76 PTGS2 (0.54) IKBKBMAPK8MAPK10PTGS2
SCHEMBL5091711 0.74 MAPK8 (0.55) IKBKBMAPK8MAPK10
SCHEMBL24334967 0.74 PTGS2 (0.64) IKBKBPTGS2
SCHEMBL7464625 0.74 DYRK1A (0.52)
SCHEMBL5089218 0.73 IKBKB (0.57) IKBKBMAPK8MAPK10
SCHEMBL7524252 0.72 CDK1 (0.69) IKBKB
SCHEMBL3524644 0.72 IKBKB (0.71) IKBKBMAPK8MAPK10

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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 US claimed
US-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-19 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-20090048282-A1 PYRIMIDINE SULFONAMIDE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A IKBKB 1593/4885CA1 4796/4885CA2 4551/4885

“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.