SCHEMBL6499588

SCHEMBL6499588

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cccc(OCC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
POLQ O75417 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.38
SCN9A Q15858 1/20 0.38
IKBKB O14920 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL6465917 0.90 ITK (0.41) ITKPOLQIRAK4SCN9A
SCHEMBL6502983 0.90 ITK (0.41) ITKPOLQIRAK4SCN9AKDM4E
SCHEMBL6471987 0.90 ITK (0.40) ITKPOLQIRAK4SCN9A
SCHEMBL6465874 0.88 ITK (0.44) ITKPOLQIRAK4SCN9AIKBKB
SCHEMBL6500908 0.87 SCN9A (0.42) ITKPOLQIRAK4SCN9A
SCHEMBL6507219 0.87 ITK (0.44) ITKPOLQIRAK4SCN9AIKBKB
SCHEMBL6470662 0.83 ITK (0.45) ITKIRAK4SCN9AMMP3KDM4E
SCHEMBL6470404 0.83 GPBAR1 (0.37) ITKSCN9ANPC1
SCHEMBL6468674 0.82 ITK (0.43) ITKIRAK4SCN9AIKBKBCA1
SCHEMBL6507532 0.82 SCN9A (0.52) ITKIRAK4SCN9A

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 ITK 4236/4885POLQ 3098/4885IRAK4 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.