SCHEMBL6500765

SCHEMBL6500765

CC(=O)COc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
IRAK4 Q9NWZ3 5/20 0.42
LMNA P02545 3/20 0.39
MAPK10 P53779 2/20 0.39
RECQL P46063 1/20 0.39
IKBKB O14920 1/20 0.39
LCK P06239 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL6499891 0.92 ITK (0.46) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6499288 0.91 PLA2G10 (0.45) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6508966 0.90 ITK (0.45) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6470681 0.90 ITK (0.44) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6499400 0.89 RAB9A (0.48) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6507522 0.88 NPC1 (0.47) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6505547 0.88 IRAK4 (0.53) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6507219 0.85 ITK (0.44) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6499042 0.84 KDM4E (0.49) ITKSMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL6468668 0.84 ITK (0.42) ITKLCK

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 4236/4885SMN1; SMN2 3519/4885ALDH1A1 846/4885

“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.