SCHEMBL6499276

SCHEMBL6499276

NC(=O)Nc1cn(-c2ccc(S(=O)(=O)c3ccccn3)cc2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
IRAK4 Q9NWZ3 4/20 0.41
CA9 Q16790 9/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA4 P22748 4/20 0.41
NAMPT P43490 3/20 0.41
CA12 O43570 5/20 0.39
ITK Q08881 1/20 0.39
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35

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
SCHEMBL6500903 0.84 IRAK4 (0.41) ABCC9ABCC8KCNJ11KCNJ8IRAK4
SCHEMBL6468270 0.82 CA9 (0.48) KDM4EIRAK4CA9CA1CA2
SCHEMBL6505306 0.81 CA12 (0.42) KDM4EPKMABCC9ABCC8KCNJ11
SCHEMBL6508306 0.81 CA9 (0.54) CA9CA1CA2CA12
SCHEMBL6467588 0.80 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8IRAK4
SCHEMBL6470265 0.79 ITK (0.42) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6500553 0.77 IRAK4 (0.41) KDM4EIRAK4CA9CA1CA2
SCHEMBL6469492 0.77 IRAK4 (0.42) KDM4EPKMIRAK4ITK
SCHEMBL6497388 0.76 KDM4E (0.53) KDM4EIRAK4CA9CA1CA2
SCHEMBL6465833 0.75 ALDH1A1 (0.53) KDM4EPKMIRAK4CA9CA1

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 KDM4E 2424/4885PKM 2290/4885ABCC9 1185/4885

“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.