SCHEMBL6504845

SCHEMBL6504845

CC(=O)c1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
SCN9A Q15858 1/20 0.42
HDAC2 Q92769 1/20 0.41
MAPT P10636 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SGK1 O00141 1/20 0.39

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
SCHEMBL6507537 0.92 ITK (0.46) ITKSMN1; SMN2LMNASCN9AHDAC2
SCHEMBL6500705 0.90 MEN1 (0.44) ITKSMN1; SMN2LMNASCN9AMAPT
SCHEMBL6504994 0.89 IRAK4 (0.48) ITKSMN1; SMN2LMNASCN9AMAPT
SCHEMBL6500349 0.88 SMN1; SMN2 (0.47) ITKSMN1; SMN2LMNASCN9AHDAC2
SCHEMBL6499548 0.88 ITK (0.45) ITKSMN1; SMN2LMNASCN9AMAPT
SCHEMBL6501255 0.88 ITK (0.45) ITKSMN1; SMN2LMNASCN9AMAPT
SCHEMBL6470665 0.87 ITK (0.46) ITKSMN1; SMN2LMNASCN9AMAPT
SCHEMBL6506096 0.87 SCN9A (0.48) ITKSMN1; SMN2LMNASCN9AHDAC2
SCHEMBL6498355 0.87 KDM4E (0.47) ITKLMNASCN9AMAPTIRAK4
SCHEMBL6467349 0.86 ITK (0.46) ITKSMN1; SMN2LMNASCN9AMAPT

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 4236/4885SMN1; SMN2 3519/4885LMNA 1826/4885

“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.