SCHEMBL6507055

SCHEMBL6507055

CCOc1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.53
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
MAPK10 P53779 1/20 0.48
NOTUM Q6P988 1/20 0.46
DGAT1 O75907 3/20 0.45
KDM4E B2RXH2 3/20 0.43
AURKA O14965 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
TP53 P04637 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 0.95 ITK (0.48) ITKALDH1A1TSHRMAPK10NOTUM
SCHEMBL6506609 0.91 ITK (0.49) ITKALDH1A1DGAT1KDM4EAURKA
SCHEMBL6497552 0.83 IRAK4 (0.54) ITKALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL6503646 0.83 ITK (0.51) ITKALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6468065 0.82 ITK (0.43) ITKALDH1A1TSHRMAPK10KDM4E
SCHEMBL6505234 0.82 ITK (0.49) ITKALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL6472892 0.81 TP53 (0.54) ITKALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL6470268 0.81 ITK (0.42) ITKALDH1A1TSHRMAPK10KDM4E
SCHEMBL6465874 0.81 ITK (0.44) ITKALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL6467585 0.81 SCN9A (0.44) ITKALDH1A1TSHRMAPK10KDM4E

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.