SCHEMBL6510177

SCHEMBL6510177

CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(OCC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK10 P53779 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACA Q13085 3/20 0.38
POLB P06746 2/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AURKA O14965 4/20 0.36
MAPT P10636 2/20 0.36
DGAT1 O75907 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPKAPK2 P49137 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
SCHEMBL6499437 0.89 ITK (0.40) ITKALDH1A1TSHRMAPK10MEN1
SCHEMBL6467585 0.83 SCN9A (0.44) ITKALDH1A1TSHRMAPK10MEN1
SCHEMBL6470268 0.81 ITK (0.42) ITKALDH1A1TSHRMAPK10MEN1
SCHEMBL6468065 0.81 ITK (0.43) ITKALDH1A1TSHRMAPK10MEN1
SCHEMBL6506609 0.80 ITK (0.49) ITKALDH1A1AURKAMAPTDGAT1
SCHEMBL6502983 0.80 ITK (0.41) ITKALDH1A1TSHRMAPK10
SCHEMBL6499891 0.79 ITK (0.46) ITKALDH1A1MAPK10ACACAPOLB
SCHEMBL6507055 0.78 ITK (0.53) ITKALDH1A1TSHRMAPK10POLB
SCHEMBL6504773 0.78 KDM4E (0.38) ITKALDH1A1MEN1KMT2APOLB
SCHEMBL6500256 0.78 ITK (0.40) ITKALDH1A1TSHRMAPK10MEN1

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 4236/4885ALDH1A1 846/4885TSHR 1759/4885

“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.