SCHEMBL6500386

SCHEMBL6500386

NC(=O)c1nn(-c2cccc(Cl)c2F)cc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
MDM2 Q00987 3/20 0.41
NOTUM Q6P988 1/20 0.39
RIPK1 Q13546 2/20 0.38
IDO1 P14902 1/20 0.37
KAT2B Q92831 1/20 0.37
CFD P00746 3/20 0.36
RXRA P19793 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
IKBKB O14920 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL6501912 0.82 ITK (0.52) PARP1MDM2RIPK1CFD
SCHEMBL14692432 0.76 NOTUM (0.50) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL15933232 0.75 NOTUM (0.43) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL3574293 0.73 PARP1 (0.58) PARP1NOTUMIKBKB
Potassium SCHEMBL6498895 0.73 RIPK1 (0.45) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL6498887 0.73 RIPK1 (0.45) PARP1MDM2NOTUMRIPK1IDO1
Potassium Ion SCHEMBL6498890 0.72 RIPK1 (0.42) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL15930151 0.72 NOTUM (0.41) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL14692524 0.71 NOTUM (0.51) PARP1MDM2NOTUMRIPK1IDO1
SCHEMBL6505228 0.71 KDM4E (0.55) PARP1NOTUMIKBKB

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 PARP1 1904/4885MDM2 1189/4885NOTUM 4672/4885

“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.