SCHEMBL6507678

SCHEMBL6507678

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.41
ITK Q08881 1/20 0.39
PARP1 P09874 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6467992 0.88 KDM4E (0.41) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6500553 0.84 IRAK4 (0.41) IRAK4ITKALDH1A1MAPTL3MBTL1
SCHEMBL6467418 0.84 IRAK4 (0.45) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6466381 0.84 ITK (0.42) IRAK4ITKPARP1ALDH1A1MAPT
SCHEMBL6499383 0.83 MAPT (0.39) IRAK4ITKALDH1A1MAPTL3MBTL1
SCHEMBL6500903 0.82 IRAK4 (0.41) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6467313 0.82 ITK (0.41) IRAK4ITKPARP1ALDH1A1MAPT
SCHEMBL6470394 0.81 IRAK4 (0.42) IRAK4ITKPARP1HDAC1HDAC2
SCHEMBL6505157 0.79 ITK (0.37) IRAK4ITKPARP1ALDH1A1MAPT
SCHEMBL6468694 0.78 ITK (0.37) IRAK4ITKPARP1ALDH1A1MAPT

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 27/4885ITK 4236/4885PARP1 1904/4885

“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.