SCHEMBL6506576

SCHEMBL6506576

NCc1cccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ITK Q08881 1/20 0.44
SCN9A Q15858 1/20 0.43
CFD P00746 5/20 0.43
KLKB1 P03952 5/20 0.42
PARP1 P09874 1/20 0.41
F11 P03951 1/20 0.40
TPSB2 P20231 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 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
SCHEMBL6467910 0.93 ITK (0.44) LMNAITKSCN9AKLKB1PARP1
SCHEMBL6467611 0.92 ITK (0.43) LMNAITKCFDKLKB1F11
SCHEMBL6468124 0.91 ITK (0.44) LMNAITKSCN9APARP1IRAK4
SCHEMBL6468754 0.86 ITK (0.43) LMNAITKSCN9AKLKB1PARP1
SCHEMBL6508710 0.85 IKBKB (0.47) LMNAITKSCN9APARP1IRAK4
SCHEMBL6467349 0.85 ITK (0.46) LMNAITKSCN9APARP1IRAK4
SCHEMBL6503522 0.85 ITK (0.48) LMNAITKSCN9APARP1IRAK4
SCHEMBL6498382 0.85 ITK (0.45) LMNAITKSCN9APARP1IRAK4
SCHEMBL6465740 0.84 IRAK4 (0.46) LMNAITKSCN9AIRAK4KDM4E
SCHEMBL6499548 0.84 ITK (0.45) LMNAITKSCN9AIRAK4KDM4E

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 LMNA 1826/4885ITK 4236/4885SCN9A 4159/4885

“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.