SCHEMBL6505948

SCHEMBL6505948

NC(=O)Nc1cn(-c2ccc(-c3cccnc3)cc2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.50
MKNK1 Q9BUB5 7/20 0.49
MKNK2 Q9HBH9 7/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.41
ITK Q08881 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 0.89 KDM4E (0.53) IRAK4KDM4EALDH1A1POLBMAPK1
SCHEMBL6467418 0.87 IRAK4 (0.45) IRAK4MKNK2KDM4EALDH1A1MAPK1
SCHEMBL6499042 0.84 KDM4E (0.49) IRAK4MKNK1MKNK2KDM4EALDH1A1
SCHEMBL6468743 0.83 SMPD1 (0.44) IRAK4
SCHEMBL6507198 0.83 MAP4K4 (0.47) IRAK4MKNK1MKNK2KDM4EALDH1A1
SCHEMBL6498693 0.83 KDM4E (0.46) IRAK4KDM4EALDH1A1POLBMAPK1
SCHEMBL6504415 0.82 KDM4E (0.50) IRAK4KDM4EALDH1A1MAPK1NPC1
SCHEMBL6498765 0.81 MAPT (0.46) IRAK4KDM4EALDH1A1POLBMAPK1
SCHEMBL6470269 0.81 MAPT (0.44) KDM4EALDH1A1POLBMAPK1NPC1
SCHEMBL6501596 0.81 IKBKB (0.47) IRAK4KDM4EALDH1A1POLBMAPK1

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 IRAK4 27/4885MKNK1 3890/4885MKNK2 2808/4885

“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.