SCHEMBL6533161

SCHEMBL6533161

C=CCOC(=O)c1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 5/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SNCA P37840 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 2/20 0.35

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
SCHEMBL6500307 0.86 MAPT (0.49) MAPTKDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL6507198 0.82 MAP4K4 (0.47) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6500092 0.80 KDM4E (0.47) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6470269 0.80 MAPT (0.44) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6497388 0.79 KDM4E (0.53) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6498693 0.78 KDM4E (0.46) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6500421 0.77 NPC1 (0.47) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6505259 0.77 KDM4E (0.44) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6506596 0.77 KDM4E (0.41) ITKMAPTKDM4ETP53ALDH1A1
SCHEMBL6467418 0.77 IRAK4 (0.45) ITKMAPTKDM4ETP53ALDH1A1

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 4236/4885MAPT 1906/4885KDM4E 2424/4885

“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.