SCHEMBL6498901

SCHEMBL6498901

CCc1cc(Br)ccc1-n1cc(NC(N)=O)c(C(N)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.48
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
SETDB1 Q15047 1/20 0.36
POLB P06746 1/20 0.35
NR4A1 P22736 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HIF1A Q16665 4/20 0.34
EPAS1 Q99814 4/20 0.34
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL6500409 0.85 ITK (0.55) ITKKDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL6499831 0.83 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2HTTSETDB1LMNA
SCHEMBL6499137 0.81 ITK (0.48) ITKKDM4ESMN1; SMN2HTTHIF1A
SCHEMBL6469788 0.77 KMT2A (0.46) ITKKDM4ESMN1; SMN2HTTPOLB
SCHEMBL6470432 0.76 SMN1; SMN2 (0.51) ITKKDM4ESMN1; SMN2HTTPOLB
SCHEMBL6467613 0.74 ITK (0.49) ITKKDM4ESMN1; SMN2HTTHIF1A
SCHEMBL6506696 0.74 ITK (0.56) ITKKDM4ESMN1; SMN2HTTPOLB
SCHEMBL6468684 0.72 ITK (0.47) ITKKDM4ESMN1; SMN2HTTPOLB
SCHEMBL6468065 0.71 ITK (0.43) ITKKDM4ESMN1; SMN2HTTRAB9A
SCHEMBL6504836 0.70 ITK (0.43) ITKKDM4ESMN1; SMN2HTTPOLB

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 4236/4885KDM4E 2424/4885SMN1; SMN2 3519/4885

“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.