SCHEMBL6500001

SCHEMBL6500001

CC(C)c1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.50
ESRRA P11474 1/20 0.43
SCN9A Q15858 1/20 0.42
JAK2 O60674 4/20 0.41
IRAK4 Q9NWZ3 5/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC5A1 P13866 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
PTPN5 P54829 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
SCHEMBL6507603 0.93 ITK (0.49) ITKESRRASCN9AIRAK4LMNA
SCHEMBL6501255 0.85 ITK (0.45) ITKESRRASCN9AIRAK4LMNA
SCHEMBL6505904 0.85 ITK (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6467349 0.84 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6503522 0.84 ITK (0.48) ITKESRRASCN9AIRAK4LMNA
SCHEMBL6508710 0.84 IKBKB (0.47) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6507537 0.83 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6508447 0.83 ITK (0.47) ITKSCN9AJAK2IRAK4LMNA
SCHEMBL6499924 0.83 IKBKB (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6465740 0.83 IRAK4 (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2

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 4236/4885ESRRA 1283/4885SCN9A 4159/4885

“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.