SCHEMBL6551201

SCHEMBL6551201

COc1c(NC(=O)Nc2ccc(Oc3ccnc(C(C)N(C)C)c3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 10/20 0.68
MAPK14 Q16539 12/20 0.67
SRC P12931 12/20 0.67
SYK P43405 12/20 0.67
LCK P06239 2/20 0.65
CXCL8 P10145 3/20 0.60
TNF P01375 1/20 0.60

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
SCHEMBL6546574 0.92 GSK3A (0.70) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545893 0.91 MAPK14 (0.57) GSK3AMAPK14SRCSYK
SCHEMBL6545888 0.88 GSK3A (0.69) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545996 0.88 GSK3A (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL17659974 0.87 GSK3A (0.74) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546000 0.87 GSK3A (0.74) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546013 0.87 GSK3A (0.69) GSK3AMAPK14SRCSYKLCK
SCHEMBL18461774 0.86 GSK3A (0.73) GSK3AMAPK14SRCSYKLCK
SCHEMBL16143036 0.86 GSK3A (0.75) GSK3AMAPK14SRCSYKLCK
SCHEMBL17665876 0.86 GSK3A (0.73) GSK3AMAPK14SRCSYKLCK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 US claimed
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US claimed
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
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US disclosed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 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 (2 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-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor OPRL1, OPRD1, OXER1 GSK3A 2873/4885MAPK14 3748/4885SRC 3625/4885
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.