SCHEMBL6504813

SCHEMBL6504813

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ITK Q08881 1/20 0.43
NOTUM Q6P988 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPIA P62937 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL6502166 0.86 MAPT (0.46) ITKMEN1KMT2ANPC1ALDH1A1
SCHEMBL6504829 0.82 SCN9A (0.53) PTGER1ITKPPIA
SCHEMBL6500313 0.78 ITK (0.47) ITKMEN1KMT2ANPC1ALDH1A1
SCHEMBL6506313 0.77 ITK (0.44) ITKNOTUMMEN1KMT2ANPC1
SCHEMBL6502246 0.77 ITK (0.44) ITKNPC1ALDH1A1
SCHEMBL6467605 0.77 ITK (0.44) ITKMEN1KMT2ANPC1ALDH1A1
SCHEMBL6467554 0.77 KMT2A (0.46) ITKMEN1KMT2ANPC1ALDH1A1
SCHEMBL6499099 0.77 ITK (0.42) ITKMEN1KMT2ANPC1ALDH1A1
SCHEMBL6507055 0.76 ITK (0.53) ITKNOTUMNPC1ALDH1A1
SCHEMBL6500141 0.75 ITK (0.44) ITKNPC1ALDH1A1

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 PTGER1 749/4885FFAR4 452/4885ITK 4236/4885

“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.