SCHEMBL6506697

SCHEMBL6506697

NC(=O)Nc1cn(-c2cccc(-c3ccc(F)cc3O)c2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.50
ITK Q08881 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
PDE4B Q07343 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK10 P53779 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL6470295 0.93 SCN9A (0.49) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6499798 0.90 SCN9A (0.48) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6502010 0.89 SCN9A (0.51) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6470351 0.88 KDM4E (0.42) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6502412 0.88 SCN9A (0.47) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6506096 0.87 SCN9A (0.48) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6506661 0.85 ITK (0.48) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6506078 0.85 ITK (0.39) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6502065 0.85 SCN9A (0.46) SCN9AITKKDM4EMAPTALDH1A1
SCHEMBL6502841 0.85 SCN9A (0.53) SCN9AITKKDM4EMAPTALDH1A1

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 4236/4885KDM4E 2424/4885

“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.