SCHEMBL6507525

SCHEMBL6507525

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
ITK Q08881 1/20 0.45
SCN9A Q15858 1/20 0.44
DHODH Q02127 1/20 0.43
LMNA P02545 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
MAP3K5 Q99683 1/20 0.39
ASIC1 P78348 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
F9 P00740 1/20 0.38

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
SCHEMBL6506505 0.89 KIF11 (0.51) KIF11ITKSCN9ADHODHLMNA
SCHEMBL6501255 0.87 ITK (0.45) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6499548 0.87 ITK (0.45) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6504994 0.86 IRAK4 (0.48) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6504845 0.86 ITK (0.46) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6470665 0.86 ITK (0.46) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6498355 0.86 KDM4E (0.47) ITKSCN9ALMNAIRAK4CNR1
SCHEMBL6506096 0.86 SCN9A (0.48) ITKSCN9ALMNARAB9ASMN1; SMN2
SCHEMBL6498382 0.85 ITK (0.45) ITKSCN9ALMNANPC1RAB9A
SCHEMBL6500349 0.85 SMN1; SMN2 (0.47) KIF11ITKSCN9ALMNANPC1

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 KIF11 4732/4885ITK 4236/4885SCN9A 4159/4885

“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.