SCHEMBL6470665

SCHEMBL6470665

CN(C)c1ccc(-c2cccc(-n3cc(NC(N)=O)c(C(N)=O)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.46
PNPLA2 Q96AD5 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LRRK2 Q5S007 2/20 0.42
SCN9A Q15858 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CSF1R P07333 1/20 0.39
HDAC1 Q13547 1/20 0.39
AOC3 Q16853 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
SCHEMBL6501255 0.88 ITK (0.45) ITKLRRK2SCN9AIRAK4SMN1; SMN2
SCHEMBL6499548 0.88 ITK (0.45) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6504845 0.87 ITK (0.46) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6506096 0.87 SCN9A (0.48) ITKHDAC6SCN9AIRAK4SMN1; SMN2
SCHEMBL6498355 0.87 KDM4E (0.47) ITKSCN9AIRAK4LMNAALDH1A1
SCHEMBL6498382 0.86 ITK (0.45) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6507525 0.86 KIF11 (0.45) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6508745 0.86 ITK (0.52) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6500349 0.86 SMN1; SMN2 (0.47) ITKSCN9AIRAK4SMN1; SMN2LMNA
SCHEMBL6507603 0.86 ITK (0.49) ITKLRRK2SCN9AIRAK4SMN1; SMN2

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 4236/4885PNPLA2 2093/4885HDAC6 1341/4885

“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.