SCHEMBL6505259

SCHEMBL6505259

CNC(=O)c1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
LMNA P02545 4/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITK Q08881 1/20 0.41
HPGD P15428 1/20 0.41
MAPKAPK2 P49137 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
BRAF P15056 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL6504994 0.89 IRAK4 (0.48) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6507198 0.89 MAP4K4 (0.47) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6470269 0.86 MAPT (0.44) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL6500468 0.85 DGAT1 (0.45) KDM4ELMNAMAPTSMN1; SMN2NPC1
SCHEMBL6497388 0.85 KDM4E (0.53) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6500414 0.84 MAPKAPK2 (0.45) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6470232 0.84 ALOX5AP (0.41) KDM4EIRAK4MAPTALDH1A1SMN1; SMN2
SCHEMBL6498693 0.84 KDM4E (0.46) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6467418 0.83 IRAK4 (0.45) KDM4ELMNAIRAK4MAPTALDH1A1
SCHEMBL6504415 0.83 KDM4E (0.50) KDM4ELMNAIRAK4MAPTALDH1A1

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 2424/4885LMNA 1826/4885IRAK4 27/4885

“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.