SCHEMBL6469636

SCHEMBL6469636

NC(=O)Nc1cn(-c2ccc(-c3ccccc3O)c(C(F)(F)F)c2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.41
ITK Q08881 1/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NTRK1 P04629 1/20 0.35
KEAP1 Q14145 1/20 0.34
THRB P10828 1/20 0.34
DDX3X O00571 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6497900 0.86 ITK (0.41) SCN9AITKPARP1RAB9AKMT2A
SCHEMBL6466433 0.85 SCN9A (0.45) SCN9AITKPARP1RAB9ANPC1
SCHEMBL6465906 0.84 ITK (0.41) SCN9AITKPARP1RAB9AKMT2A
SCHEMBL6468202 0.84 ITK (0.43) SCN9AITKPARP1RAB9AKMT2A
SCHEMBL6467341 0.82 ITK (0.40) SCN9AITKPARP1RAB9AKMT2A
SCHEMBL6500226 0.82 SCN9A (0.41) SCN9AITKPARP1IRAK4
SCHEMBL6528133 0.80 SCN9A (0.56) SCN9AITKSCN10ACYP2C9
SCHEMBL6507561 0.80 KDM4E (0.45) SCN9AITKRAB9AKMT2ANPC1
SCHEMBL6470268 0.80 ITK (0.42) SCN9AITKRAB9AKMT2ANPC1
SCHEMBL6502010 0.80 SCN9A (0.51) SCN9AITKRAB9AKMT2ANPC1

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 4159/4885ITK 4236/4885PARP1 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.