SCHEMBL6466433

SCHEMBL6466433

NC(=O)Nc1cn(-c2ccc(-c3cccc(O)c3)c(C(F)(F)F)c2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.45
IKBKB O14920 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
CYP2C9 P11712 1/20 0.41
ITK Q08881 1/20 0.40
MAPK10 P53779 9/20 0.39
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDGFRA P16234 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL6470182 0.87 SCN9A (0.43) SCN9AIKBKBITKMAPK10PARP1
SCHEMBL6528133 0.86 SCN9A (0.56) SCN9ASCN10ACYP2C9ITKCYP3A4
SCHEMBL6469636 0.85 SCN9A (0.41) SCN9ASCN10ACYP2C9ITKPARP1
SCHEMBL6468674 0.85 ITK (0.43) SCN9AIKBKBITKMAPK10NPC1
SCHEMBL6468728 0.85 IKBKB (0.42) SCN9AIKBKBITKMAPK10NPC1
SCHEMBL6508710 0.83 IKBKB (0.47) SCN9AIKBKBITKMAPK10PARP1
SCHEMBL6500908 0.83 SCN9A (0.42) SCN9ASCN10ACYP2C9ITKPARP1
SCHEMBL6498765 0.82 MAPT (0.46) SCN9AIKBKBCYP2C9ITKNPC1
SCHEMBL6467585 0.81 SCN9A (0.44) SCN9AIKBKBITKMAPK10NPC1
SCHEMBL6505234 0.81 ITK (0.49) SCN9AIKBKBITKPARP1ALDH1A1

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 SCN9A 4159/4885IKBKB 664/4885SCN10A 3527/4885

“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.