SCHEMBL6469876

SCHEMBL6469876

NC(=O)Nc1cn(-c2ccc(S(=O)(=O)c3ccc(F)cc3)c(Cl)c2)nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA9 Q16790 6/20 0.39
CA12 O43570 5/20 0.39
NAMPT P43490 2/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
ITK Q08881 1/20 0.36
IKBKB O14920 1/20 0.36
CA4 P22748 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 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
SCHEMBL6507544 0.88 NAMPT (0.41) CA1CA2CA9CA12NAMPT
SCHEMBL6468270 0.86 CA9 (0.48) CA1CA2CA9CA12ITK
SCHEMBL6505918 0.86 ITK (0.38) HSD11B1ITKKMT2AMEN1
SCHEMBL6506387 0.82 ITK (0.41) CA1CA2CA9CA12ITK
SCHEMBL6467588 0.81 ABCC9 (0.42) HSD11B1CA1CA2CA9CA12
SCHEMBL6467527 0.81 KDM4E (0.47) CA1CA2CA9CA12ITK
SCHEMBL6468749 0.80 ITK (0.44) ITKKDM4EKMT2AMEN1ALDH1A1
SCHEMBL6465878 0.79 ITK (0.37) KCNQ3KCNQ2ITKKDM4EKMT2A
SCHEMBL6470265 0.79 ITK (0.42) CA1CA2CA9CA12NAMPT
SCHEMBL6499749 0.78 ITK (0.41) NAMPTITKABCC9ABCC8KCNJ11

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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HSD11B1 2016/4885CA1 3159/4885CA2 3703/4885

“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.