SCHEMBL6467641

SCHEMBL6467641

NC(=O)Nc1cn(-c2cccc([S+]([O-])c3ccccc3F)c2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
SCN9A Q15858 1/20 0.37
IRAK4 Q9NWZ3 6/20 0.36
PARP1 P09874 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
RIPK1 Q13546 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6467313 0.90 ITK (0.41) ITKIRAK4PARP1SMN1; SMN2LMNA
SCHEMBL6466381 0.80 ITK (0.42) ITKSCN9AIRAK4PARP1SMN1; SMN2
SCHEMBL6506661 0.80 ITK (0.48) ITKSCN9AIRAK4PARP1RIPK1
SCHEMBL6499383 0.78 MAPT (0.39) ITKIRAK4SMN1; SMN2LMNAKMT2A
SCHEMBL6503646 0.78 ITK (0.51) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6501636 0.77 SCN9A (0.45) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6505234 0.77 ITK (0.49) ITKSCN9AIRAK4PARP1SMN1; SMN2
SCHEMBL6468751 0.77 ITK (0.44) ITKSCN9AIRAK4PARP1LMNA
SCHEMBL6468080 0.76 ITK (0.42) ITKSCN9AIRAK4PARP1SMN1; SMN2
SCHEMBL6501657 0.76 ITK (0.44) ITKSCN9AIRAK4SMN1; SMN2LMNA

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 ITK 4236/4885SCN9A 4159/4885IRAK4 27/4885

“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.