SCHEMBL6508745

SCHEMBL6508745

COc1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.52
IKBKB O14920 2/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AURKA O14965 6/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 3/20 0.45
SCN9A Q15858 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6497552 0.93 IRAK4 (0.54) ITKIKBKBIRAK4ALDH1A1MEN1
SCHEMBL6505547 0.89 IRAK4 (0.53) ITKIKBKBIRAK4ALDH1A1MEN1
SCHEMBL6499825 0.89 KMT2A (0.51) ITKALDH1A1MEN1KMT2AMAPT
SCHEMBL6506609 0.89 ITK (0.49) ITKALDH1A1AURKAMAPTSCN9A
SCHEMBL6499548 0.87 ITK (0.45) ITKIKBKBIRAK4L3MBTL1ALDH1A1
SCHEMBL6501255 0.87 ITK (0.45) ITKIKBKBIRAK4L3MBTL1ALDH1A1
SCHEMBL6470665 0.86 ITK (0.46) ITKIRAK4ALDH1A1MEN1KMT2A
SCHEMBL6504845 0.86 ITK (0.46) ITKIRAK4L3MBTL1ALDH1A1MAPT
SCHEMBL6497796 0.86 SCN9A (0.46) ITKIRAK4ALDH1A1MEN1KMT2A
SCHEMBL6498355 0.86 KDM4E (0.47) ITKIKBKBIRAK4ALDH1A1MEN1

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 4236/4885IKBKB 664/4885IRAK4 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.