SCHEMBL6505904

SCHEMBL6505904

Cc1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.48
SCN9A Q15858 1/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC2 Q92769 1/20 0.40
ADORA2A P29274 1/20 0.40
NR3C2 P08235 1/20 0.40
TP53 P04637 1/20 0.40
ELANE P08246 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
SCHEMBL6503646 0.93 ITK (0.51) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6508388 0.92 ITK (0.47) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6508710 0.87 IKBKB (0.47) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6503522 0.87 ITK (0.48) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6467349 0.87 ITK (0.46) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6497760 0.87 IRAK4 (0.48) ITKSCN9AIRAK4
SCHEMBL6504059 0.87 ITK (0.45) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6507537 0.86 ITK (0.46) ITKSCN9ALMNAKDM4EMAPT
SCHEMBL6465740 0.86 IRAK4 (0.46) ITKSCN9ALMNAALDH1A1KDM4E
SCHEMBL6501255 0.86 ITK (0.45) ITKSCN9ALMNAALDH1A1KDM4E

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 4236/4885SCN9A 4159/4885LMNA 1826/4885

“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.