SCHEMBL6501912

SCHEMBL6501912

NC(=O)Nc1cn(-c2cccc(Cl)c2F)nc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.52
PARP1 P09874 1/20 0.44
RIPK1 Q13546 4/20 0.43
IRAK4 Q9NWZ3 3/20 0.39
CFD P00746 7/20 0.39
MDM2 Q00987 3/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6500386 0.82 PARP1 (0.45) PARP1RIPK1CFDMDM2
SCHEMBL6467428 0.79 ITK (0.47) ITKRIPK1IRAK4
SCHEMBL6506696 0.78 ITK (0.56) ITKIRAK4
SCHEMBL6500409 0.77 ITK (0.55) ITKIRAK4L3MBTL1
SCHEMBL6468684 0.77 ITK (0.47) ITKPARP1IRAK4L3MBTL1
SCHEMBL6506661 0.75 ITK (0.48) ITKPARP1RIPK1IRAK4L3MBTL1
SCHEMBL6506527 0.75 SCN9A (0.46) ITKIRAK4
SCHEMBL6497396 0.74 SCN9A (0.43) ITKPARP1IRAK4
SCHEMBL6497902 0.74 SCN9A (0.43) ITKPARP1IRAK4MDM2
SCHEMBL6506908 0.74 ITK (0.42) ITKPARP1IRAK4L3MBTL1

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 ITK 4236/4885PARP1 1904/4885RIPK1 2437/4885

“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.