SCHEMBL6499042

SCHEMBL6499042

NC(=O)Nc1cn(-c2ccc(-c3cccc(-c4ccccc4)c3)cc2)nc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ITK Q08881 1/20 0.47
LMNA P02545 7/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
HTT P42858 3/20 0.43
MITF O75030 1/20 0.43
XBP1 P17861 1/20 0.43
IKBKB O14920 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6497388 0.95 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6472225 0.92 KMO (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6498765 0.92 MAPT (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6501596 0.91 IKBKB (0.47) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6508388 0.91 ITK (0.47) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6469857 0.89 ITK (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6467611 0.89 ITK (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6505547 0.88 IRAK4 (0.53) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6500592 0.88 ITK (0.45) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6509074 0.88 KIF11 (0.57) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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 KDM4E 2424/4885ALDH1A1 846/4885MAPT 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.