SCHEMBL6499411

SCHEMBL6499411

NC(=O)Nc1cn(-c2cccc3c2sc2ccccc23)nc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.52
PARP14 Q460N5 1/20 0.41
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
IRAK4 Q9NWZ3 6/20 0.35
IKBKB O14920 3/20 0.35
LIMK1 P53667 2/20 0.35
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PLA2G10 O15496 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PARP1 P09874 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL6505525 0.81 ITK (0.43) ITKKDM4EGAA
SCHEMBL6506696 0.75 ITK (0.56) ITKKDM4EIRAK4HTTSMN1; SMN2
SCHEMBL6500409 0.74 ITK (0.55) ITKKDM4EGAAIRAK4HTT
SCHEMBL6501912 0.73 ITK (0.52) ITKIRAK4PARP1
SCHEMBL6505234 0.69 ITK (0.49) ITKKDM4EGAAIRAK4IKBKB
SCHEMBL6502017 0.68 ITK (0.52) ITKKDM4EGAAIRAK4TP53
SCHEMBL6497388 0.68 KDM4E (0.53) ITKKDM4EGAAIRAK4IKBKB
SCHEMBL6503646 0.68 ITK (0.51) ITKKDM4EIRAK4SMN1; SMN2
SCHEMBL6470432 0.68 SMN1; SMN2 (0.51) ITKKDM4EGAAIRAK4HTT
SCHEMBL6470657 0.68 ITK (0.48) ITKKDM4EGAAIRAK4SMN1; SMN2

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 4236/4885PARP14 1320/4885KDM4E 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.