SCHEMBL6840076

SCHEMBL6840076

CNC(=O)c1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccncc3)c3ccccc23)c1OC

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 0.67
MAPK14 Q16539 13/20 0.67
SRC P12931 12/20 0.67
SYK P43405 12/20 0.67
CXCL8 P10145 1/20 0.62

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
SCHEMBL14459482 0.90 GSK3A (0.68) GSK3AMAPK14SRCSYK
SCHEMBL14459485 0.87 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL14459488 0.86 MAPK14 (0.60) GSK3AMAPK14SRCSYK
SCHEMBL6298751 0.83 GSK3A (0.67) GSK3AMAPK14SRCSYK
SCHEMBL6547129 0.81 MAPK14 (0.59) GSK3AMAPK14SRCSYK
SCHEMBL16106402 0.81 SRC (1.00) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL17652670 0.81 SRC (0.80) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL14459484 0.80 GSK3A (0.62) GSK3AMAPK14SRCSYK
SCHEMBL16106316 0.80 SRC (1.00) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL5253174 0.80 MAPK14 (0.50) GSK3AMAPK14SRCSYK

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-6765009-B2 N-(5-TERT-BUTYL-3-(3-(4-((2-DIMETHYLAMINOMETHYL-PYRIDIN-4-YL) -PIPERAZIN-1-YL-METHYL) NAPHTHALEN-1-YL)UREIDO)-2-METHOXYPHENYL) METHANESULFONAMIDE FOR EXAMPLE; CYTOKINE INHIBITORS FOR TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-07-20 US disclosed
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 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-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 GSK3A 3419/4885MAPK14 3841/4885SRC 2052/4885

“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.