SCHEMBL6465740

SCHEMBL6465740

NC(=O)Nc1cn(-c2cccc(-c3ccncc3)c2)nc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.46
ITK Q08881 1/20 0.45
SCN9A Q15858 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
LMNA P02545 2/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
USP2 O75604 2/20 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
SCHEMBL6501255 0.88 ITK (0.45) IRAK4ITKSCN9ATBK1SMN1; SMN2
SCHEMBL6499548 0.88 ITK (0.45) IRAK4ITKSCN9ASMN1; SMN2KDM4E
SCHEMBL6498355 0.87 KDM4E (0.47) IRAK4ITKSCN9AKDM4EALDH1A1
SCHEMBL6507397 0.87 ITK (0.45) IRAK4ITKSCN9ATBK1SMN1; SMN2
SCHEMBL6506096 0.87 SCN9A (0.48) IRAK4ITKSCN9ASMN1; SMN2KDM4E
SCHEMBL6503522 0.87 ITK (0.48) IRAK4ITKSCN9ATBK1SMN1; SMN2
SCHEMBL6508710 0.87 IKBKB (0.47) IRAK4ITKSCN9ASMN1; SMN2KDM4E
SCHEMBL6467349 0.87 ITK (0.46) IRAK4ITKSCN9ASMN1; SMN2KDM4E
SCHEMBL6506505 0.87 KIF11 (0.51) ITKSCN9AKDM4ELMNACYP1A2
SCHEMBL6467600 0.87 ITK (0.43) IRAK4ITKSCN9ASMN1; SMN2KDM4E

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 IRAK4 27/4885ITK 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.