SCHEMBL6501255

SCHEMBL6501255

NC(=O)Nc1cn(-c2cccc(-c3ccc(N)cc3)c2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.45
SCN9A Q15858 1/20 0.44
IRAK4 Q9NWZ3 5/20 0.40
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ESRRA P11474 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
IKBKB O14920 1/20 0.37

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
SCHEMBL6503522 0.92 ITK (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6499548 0.91 ITK (0.45) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6498355 0.90 KDM4E (0.47) ITKSCN9AIRAK4LMNAKDM4E
SCHEMBL6506096 0.90 SCN9A (0.48) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6507603 0.89 ITK (0.49) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6500705 0.89 MEN1 (0.44) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6467910 0.89 ITK (0.44) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6465740 0.88 IRAK4 (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6504845 0.88 ITK (0.46) ITKSCN9AIRAK4LMNASMN1; SMN2
SCHEMBL6468754 0.88 ITK (0.43) ITKSCN9AIRAK4LMNASMN1; 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 4236/4885SCN9A 4159/4885IRAK4 27/4885

“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.