SCHEMBL6465874

SCHEMBL6465874

N#CCOc1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
SCN9A Q15858 1/20 0.41
IRAK4 Q9NWZ3 5/20 0.40
CTSA P10619 1/20 0.39
IKBKB O14920 1/20 0.36
POLQ O75417 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 3/20 0.36
PARP1 P09874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6470662 0.94 ITK (0.45) ITKSCN9AIRAK4CTSATP53
SCHEMBL6507219 0.93 ITK (0.44) ITKSCN9AIRAK4CTSAIKBKB
SCHEMBL6465917 0.89 ITK (0.41) ITKSCN9AIRAK4CTSAPOLQ
SCHEMBL6471987 0.88 ITK (0.40) ITKSCN9AIRAK4CTSAPOLQ
SCHEMBL6499588 0.88 ITK (0.42) ITKSCN9AIRAK4IKBKBPOLQ
SCHEMBL6507532 0.88 SCN9A (0.52) ITKSCN9AIRAK4
SCHEMBL6507373 0.87 ITK (0.45) ITKSCN9AIRAK4CTSAIKBKB
SCHEMBL6505457 0.87 ITK (0.48) ITKSCN9AIRAK4ALDH1A1TSHR
SCHEMBL6502983 0.87 ITK (0.41) ITKSCN9AIRAK4POLQKDM4E
SCHEMBL6500908 0.86 SCN9A (0.42) ITKSCN9AIRAK4POLQPARP1

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 4236/4885SCN9A 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.