SCHEMBL6498765

SCHEMBL6498765

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
IKBKB O14920 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ITK Q08881 1/20 0.45
IRAK4 Q9NWZ3 2/20 0.40
LMNA P02545 3/20 0.40
HSD17B2 P37059 4/20 0.40
HSD17B1 P14061 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6508710 0.92 IKBKB (0.47) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6499042 0.92 KDM4E (0.49) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6497388 0.89 KDM4E (0.53) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6499548 0.88 ITK (0.45) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6498693 0.88 KDM4E (0.46) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL6508388 0.87 ITK (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL6501596 0.87 IKBKB (0.47) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6505234 0.87 ITK (0.49) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB
SCHEMBL6472225 0.86 KMO (0.46) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL6469857 0.85 ITK (0.43) MAPTKDM4EALDH1A1SMN1; SMN2IKBKB

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 MAPT 1906/4885KDM4E 2424/4885ALDH1A1 846/4885

“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.