SCHEMBL6502010

SCHEMBL6502010

NC(=O)Nc1cn(-c2cccc(-c3ccccc3O)c2)nc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.51
ITK Q08881 1/20 0.45
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL6502841 0.91 SCN9A (0.53) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6506697 0.89 SCN9A (0.50) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6470295 0.88 SCN9A (0.49) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6507561 0.87 KDM4E (0.45) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6508710 0.86 IKBKB (0.47) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6470433 0.86 SCN9A (0.48) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6499349 0.86 SCN9A (0.51) SCN9AITKMAPTALDH1A1IRAK4
SCHEMBL6499548 0.85 ITK (0.45) SCN9AITKMAPTALDH1A1POLB
SCHEMBL6507806 0.85 SCN9A (0.57) SCN9AITKMAPTPOLBIRAK4
SCHEMBL6528133 0.85 SCN9A (0.56) SCN9AITKGRM5SCN10A

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 4236/4885MAPT 1906/4885

“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.