SCHEMBL6499437

SCHEMBL6499437

CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.40
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CREBBP Q92793 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL6467585 0.90 SCN9A (0.44) ITKKDM4ESMN1; SMN2HTTSCN9A
SCHEMBL6510177 0.89 ITK (0.42) ITKALDH1A1TSHRMAPK10MAPT
SCHEMBL6470268 0.86 ITK (0.42) ITKKDM4ESMN1; SMN2HTTSCN9A
SCHEMBL6502483 0.85 ITK (0.41) ITKKDM4ESMN1; SMN2HTTSCN9A
SCHEMBL6468065 0.84 ITK (0.43) ITKKDM4ESMN1; SMN2HTTNPC1
SCHEMBL6499580 0.83 ITK (0.39) ITKKDM4ESMN1; SMN2SCN9ANPC1
SCHEMBL6499994 0.83 ITK (0.39) ITKKDM4ESMN1; SMN2SCN9ANPC1
SCHEMBL6502983 0.81 ITK (0.41) ITKKDM4EHTTSCN9ANPC1
SCHEMBL6498693 0.81 KDM4E (0.46) ITKKDM4ESMN1; SMN2HTTNPC1
SCHEMBL6500256 0.81 ITK (0.40) ITKKDM4ESMN1; SMN2HTTSCN9A

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 ITK 4236/4885KDM4E 2424/4885SMN1; SMN2 3519/4885

“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.