SCHEMBL6500903

SCHEMBL6500903

NC(=O)Nc1cn(-c2ccc(S(=O)(=O)c3ccncc3)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.41
CA12 O43570 8/20 0.40
CA9 Q16790 8/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
ITK Q08881 1/20 0.39
NAMPT P43490 3/20 0.39
PARP1 P09874 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36

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
SCHEMBL6468270 0.88 CA9 (0.48) IRAK4CA12CA9CA1CA2
SCHEMBL6467418 0.85 IRAK4 (0.45) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6508306 0.85 CA9 (0.54) CA12CA9CA1CA2
SCHEMBL6499276 0.84 KDM4E (0.43) IRAK4CA12CA9CA1CA2
SCHEMBL6505306 0.83 CA12 (0.42) IRAK4CA12CA9CA1CA2
SCHEMBL6470265 0.82 ITK (0.42) IRAK4CA12CA9CA1CA2
SCHEMBL6507678 0.82 IRAK4 (0.41) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6470394 0.82 IRAK4 (0.42) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6467588 0.82 ABCC9 (0.42) IRAK4CA12CA9CA1CA2
SCHEMBL6469788 0.78 KMT2A (0.46) IRAK4CA12CA9CA1CA2

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 IRAK4 27/4885CA12 3831/4885CA9 4345/4885

“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.