SCHEMBL6470404

SCHEMBL6470404

Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(F)cc1OCC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
ITK Q08881 1/20 0.37
SCN9A Q15858 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
MKNK2 Q9HBH9 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GPR6 P46095 1/20 0.33
PARP1 P09874 2/20 0.33
AR P10275 1/20 0.33
KCNN4 O15554 1/20 0.33
PDE10A Q9Y233 1/20 0.32
KIF5C O60282 1/20 0.32
KIF11 P52732 1/20 0.32
KIF5A Q12840 1/20 0.32

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
SCHEMBL6504376 0.89 ITK (0.38) ITKSCN9ANPC1LMNARAB9A
SCHEMBL6469640 0.89 ALOX5AP (0.41) GPBAR1ITKSCN9ANPC1LMNA
SCHEMBL6470117 0.84 ALOX5AP (0.39) ITKSCN9ANPC1LMNARAB9A
SCHEMBL6500256 0.84 ITK (0.40) ITKSCN9ANPC1LMNAALOX5AP
SCHEMBL6470611 0.83 ITK (0.40) ITKSCN9ANPC1LMNARAB9A
SCHEMBL6499588 0.83 ITK (0.42) ITKSCN9ANPC1
SCHEMBL6470220 0.82 ITK (0.38) ITKSCN9AALOX5APFEN1PARP1
SCHEMBL6500226 0.82 SCN9A (0.41) ITKSCN9AALOX5APFEN1PARP1
SCHEMBL6499446 0.82 SCN9A (0.47) ITKSCN9AALOX5APFEN1ALDH1A1
SCHEMBL6470704 0.82 ITK (0.39) ITKSCN9ANPC1LMNARAB9A

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 GPBAR1 1085/4885ITK 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.