SCHEMBL6546013

SCHEMBL6546013

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.69
SRC P12931 13/20 0.68
SYK P43405 13/20 0.68
MAPK14 Q16539 12/20 0.68
LCK P06239 2/20 0.67
CXCL8 P10145 2/20 0.61
TNF P01375 1/20 0.61

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
SCHEMBL6546000 0.93 GSK3A (0.74) GSK3ASRCSYKMAPK14LCK
SCHEMBL6545972 0.92 GSK3A (0.67) GSK3ASRCSYKMAPK14LCK
SCHEMBL6546248 0.92 GSK3A (0.76) GSK3ASRCSYKMAPK14LCK
SCHEMBL6545894 0.91 MAPK14 (0.59) GSK3ASRCSYKMAPK14
SCHEMBL6546016 0.90 GSK3A (0.61) GSK3ASRCSYKMAPK14LCK
SCHEMBL17659974 0.88 GSK3A (0.74) GSK3ASRCSYKMAPK14LCK
SCHEMBL18461774 0.88 GSK3A (0.73) GSK3ASRCSYKMAPK14LCK
SCHEMBL16143036 0.88 GSK3A (0.75) GSK3ASRCSYKMAPK14LCK
SCHEMBL17665876 0.88 GSK3A (0.73) GSK3ASRCSYKMAPK14LCK
SCHEMBL16106281 0.88 GSK3A (0.73) GSK3ASRCSYKMAPK14LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds BOEHRINGER INTELHEIM PHARMACEUTICALS, INC. 2003-05-01 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 (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 3419/4885SRC 2052/4885SYK 1058/4885

“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.