SCHEMBL6507680

SCHEMBL6507680

N#CCCc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.35
MITF O75030 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
CTSK P43235 2/20 0.35
PARP1 P09874 2/20 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
SCHEMBL6470075 0.90 MMP3 (0.44) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6505532 0.87 ITK (0.41) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6469857 0.86 ITK (0.43) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6467611 0.86 ITK (0.43) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6501777 0.84 ITK (0.41) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6499042 0.83 KDM4E (0.49) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6498515 0.83 ITK (0.43) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6507219 0.83 ITK (0.44) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6470279 0.82 SCN9A (0.42) ITKKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6499975 0.81 ITK (0.40) ITKKDM4EALDH1A1MAPTSMN1; SMN2

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 2424/4885ALDH1A1 846/4885

“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.