SCHEMBL6500908

SCHEMBL6500908

N#CCOc1cccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
ITK Q08881 1/20 0.39
PARP1 P09874 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
CYP2C9 P11712 1/20 0.36
POLQ O75417 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL6465917 0.90 ITK (0.41) SCN9AITKPARP1IRAK4POLQ
SCHEMBL6499588 0.87 ITK (0.42) SCN9AITKIRAK4POLQ
SCHEMBL6471987 0.87 ITK (0.40) SCN9AITKIRAK4POLQ
SCHEMBL6500226 0.87 SCN9A (0.41) SCN9AITKPARP1IRAK4
SCHEMBL6465874 0.86 ITK (0.44) SCN9AITKPARP1IRAK4POLQ
SCHEMBL6502983 0.86 ITK (0.41) SCN9AITKIRAK4POLQ
SCHEMBL6507219 0.85 ITK (0.44) SCN9AITKIRAK4POLQPRMT5
SCHEMBL6466433 0.83 SCN9A (0.45) SCN9AITKPARP1SCN10ACYP2C9
SCHEMBL6470662 0.81 ITK (0.45) SCN9AITKPARP1IRAK4
SCHEMBL6507532 0.80 SCN9A (0.52) SCN9AITKSCN10AIRAK4

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 1 patent. 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

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.