SCHEMBL6500414

SCHEMBL6500414

CNC(=O)Nc1cn(-c2ccc(-c3ccc(C(N)=O)cc3)cc2)nc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.45
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MKNK1 Q9BUB5 5/20 0.38
MKNK2 Q9HBH9 5/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ITK Q08881 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL6507198 0.87 MAP4K4 (0.47) MAPKAPK2MAP4K4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6506408 0.85 HTT (0.45) KDM4ESMN1; SMN2ALDH1A1RAB9AIRAK4
SCHEMBL6510229 0.85 IRAK4 (0.39) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL6505259 0.84 KDM4E (0.44) MAPKAPK2MAP4K4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6470269 0.80 MAPT (0.44) MAP4K4KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6497388 0.78 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL6499185 0.78 ALDH1A1 (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1IRAK4
SCHEMBL6498693 0.77 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL6468154 0.76 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2ALDH1A1MAPTIRAK4
SCHEMBL6467418 0.76 IRAK4 (0.45) MAP4K4KDM4ESMN1; SMN2ALDH1A1MAPT

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 MAPKAPK2 1802/4885MAP4K4 996/4885KDM4E 2424/4885

“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.