SCHEMBL6545986

SCHEMBL6545986

COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(NCC4CCCO4)n3)c3ccccc23)c1OC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.60
MAPK14 Q16539 6/20 0.60
SRC P12931 6/20 0.59
SYK P43405 6/20 0.59

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
SCHEMBL6299884 0.92 GSK3A (0.66) GSK3AMAPK14SRCSYK
SCHEMBL6305622 0.90 GSK3A (0.58) GSK3AMAPK14SRCSYK
SCHEMBL6546585 0.90 GSK3A (0.65) GSK3AMAPK14SRCSYK
SCHEMBL6546910 0.84 GSK3A (0.81) GSK3AMAPK14SRCSYK
SCHEMBL6300001 0.84 GSK3A (0.56) GSK3AMAPK14SRCSYK
SCHEMBL4690410 0.82 GSK3A (0.61) GSK3AMAPK14SRCSYK
SCHEMBL6547071 0.82 GSK3A (0.69) GSK3AMAPK14SRCSYK
SCHEMBL6300971 0.82 GSK3A (0.71) GSK3AMAPK14SRCSYK
SCHEMBL6306253 0.81 GSK3A (0.48) GSK3AMAPK14SRCSYK
SCHEMBL6835776 0.80 GSK3A (0.64) 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 8 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 claimed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP claimed
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
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO 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
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.