SCHEMBL6506609

SCHEMBL6506609

CCOc1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.49
AURKA O14965 5/20 0.48
DGAT1 O75907 2/20 0.45
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SCN9A Q15858 1/20 0.42
MAPT P10636 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ICMT O60725 1/20 0.41

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
SCHEMBL6505457 0.94 ITK (0.48) ITKAURKADGAT1ALDH1A1SCN9A
SCHEMBL6507055 0.91 ITK (0.53) ITKAURKADGAT1KDM4EUSP2
SCHEMBL6508745 0.89 ITK (0.52) ITKAURKAKDM4EALDH1A1SCN9A
SCHEMBL6470662 0.87 ITK (0.45) ITKAURKAKDM4EALDH1A1SCN9A
SCHEMBL6498382 0.87 ITK (0.45) ITKKDM4EALDH1A1SCN9AMAPT
SCHEMBL6467910 0.84 ITK (0.44) ITKKDM4EALDH1A1SCN9AMAPT
SCHEMBL6501255 0.84 ITK (0.45) ITKKDM4EALDH1A1SCN9AMAPT
SCHEMBL6499548 0.84 ITK (0.45) ITKKDM4EALDH1A1SCN9AMAPT
SCHEMBL6504845 0.83 ITK (0.46) ITKKDM4EALDH1A1SCN9AMAPT
SCHEMBL6468754 0.83 ITK (0.43) ITKKDM4EALDH1A1SCN9AMAPT

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 4236/4885AURKA 3499/4885DGAT1 4389/4885

“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.