SCHEMBL6467910

SCHEMBL6467910

NCc1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
HDAC1 Q13547 2/20 0.43
SCN9A Q15858 1/20 0.43
KLKB1 P03952 3/20 0.42
LMNA P02545 4/20 0.41
IRAK4 Q9NWZ3 3/20 0.39
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MITF O75030 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6506576 0.93 LMNA (0.46) ITKSCN9AKLKB1LMNAIRAK4
SCHEMBL6468754 0.92 ITK (0.43) ITKHDAC1SCN9AKLKB1LMNA
SCHEMBL6498382 0.91 ITK (0.45) ITKSCN9ALMNAIRAK4PARP1
SCHEMBL6467611 0.90 ITK (0.43) ITKHDAC1KLKB1LMNAIRAK4
SCHEMBL6501255 0.89 ITK (0.45) ITKHDAC1SCN9ALMNAIRAK4
SCHEMBL6499548 0.89 ITK (0.45) ITKSCN9ALMNAIRAK4KDM4E
SCHEMBL6508447 0.89 ITK (0.47) ITKSCN9ALMNAIRAK4PARP1
SCHEMBL6470279 0.89 SCN9A (0.42) ITKHDAC1SCN9ALMNAIRAK4
SCHEMBL6498196 0.88 ITK (0.42) ITKSCN9ALMNAIRAK4PARP1
SCHEMBL6506096 0.88 SCN9A (0.48) ITKSCN9ALMNAIRAK4KDM4E

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 2 patents. 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
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO 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 ITK 4236/4885HDAC1 462/4885SCN9A 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.