SCHEMBL6502841

SCHEMBL6502841

NC(=O)Nc1cn(-c2cccc(-c3ccccc3-c3ccccc3)c2)nc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.53
ITK Q08881 1/20 0.46
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
IKBKB O14920 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NTRK1 P04629 1/20 0.38

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
SCHEMBL6502010 0.91 SCN9A (0.51) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6470433 0.90 SCN9A (0.48) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6499349 0.88 SCN9A (0.51) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6507806 0.87 SCN9A (0.57) SCN9AITKIRAK4MAPTPOLB
SCHEMBL6528133 0.87 SCN9A (0.56) SCN9AITKSCN10A
SCHEMBL6499760 0.87 SCN9A (0.48) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6470464 0.86 KDM4E (0.46) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6508710 0.86 IKBKB (0.47) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6503522 0.86 ITK (0.48) SCN9AITKLMNASMN1; SMN2IRAK4
SCHEMBL6467349 0.86 ITK (0.46) SCN9AITKLMNASMN1; SMN2IRAK4

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 4236/4885LMNA 1826/4885

“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.