SCHEMBL6469857

SCHEMBL6469857

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FYN P06241 1/20 0.39
PRKCI P41743 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
MGLL Q99685 1/20 0.38
ACMSD Q8TDX5 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
SCHEMBL6468124 0.92 ITK (0.44) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6467611 0.91 ITK (0.43) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6468754 0.89 ITK (0.43) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6506596 0.89 KDM4E (0.41) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6499042 0.89 KDM4E (0.49) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6505532 0.89 ITK (0.41) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6470075 0.88 MMP3 (0.44) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6497388 0.86 KDM4E (0.53) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6507680 0.86 ITK (0.40) ITKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6498765 0.85 MAPT (0.46) ITKKDM4EALDH1A1SMN1; SMN2MAPT

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 ITK 4236/4885KDM4E 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.