SCHEMBL6468124

SCHEMBL6468124

NC(=O)Nc1cn(-c2cccc(-c3cccc(CO)c3)c2)nc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
SCN9A Q15858 1/20 0.43
PARP1 P09874 2/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40
SRC P12931 1/20 0.40
ABL2 P42684 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
SLC5A1 P13866 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL6469857 0.92 ITK (0.43) ITKSCN9APARP1ABL1IRAK4
SCHEMBL6468754 0.92 ITK (0.43) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6506576 0.91 LMNA (0.46) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6467910 0.87 ITK (0.44) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6467349 0.85 ITK (0.46) ITKSCN9APARP1ABL1EGFR
SCHEMBL6508710 0.85 IKBKB (0.47) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6502841 0.85 SCN9A (0.53) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6503522 0.85 ITK (0.48) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6498382 0.85 ITK (0.45) ITKSCN9APARP1IRAK4LMNA
SCHEMBL6470433 0.85 SCN9A (0.48) ITKSCN9APARP1IRAK4LMNA

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 4159/4885PARP1 1904/4885

“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.