SCHEMBL6547033

SCHEMBL6547033

COC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(Oc3ccnc(C(O)c4ccccc4)c3)c3ccccc23)c1OC

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.59
GSK3A P49840 15/20 0.58
SRC P12931 14/20 0.58
SYK P43405 14/20 0.58
LCK P06239 1/20 0.55

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
SCHEMBL6841105 0.91 MAPK14 (0.59) MAPK14GSK3ASRCSYK
SCHEMBL6545888 0.91 GSK3A (0.69) MAPK14GSK3ASRCSYKLCK
SCHEMBL6545893 0.88 MAPK14 (0.57) MAPK14GSK3ASRCSYK
SCHEMBL6545674 0.86 MAPK14 (0.56) MAPK14GSK3ASRCSYK
SCHEMBL6546404 0.86 MAPK14 (0.63) MAPK14GSK3ASRCSYKLCK
SCHEMBL6546930 0.86 MAPK14 (0.63) MAPK14GSK3ASRCSYK
SCHEMBL6547546 0.85 MAPK14 (0.62) MAPK14GSK3ASRCSYKLCK
SCHEMBL6547129 0.83 MAPK14 (0.59) MAPK14GSK3ASRCSYK
SCHEMBL6546233 0.83 MAPK14 (0.61) MAPK14GSK3ASRCSYK
SCHEMBL6546607 0.83 GSK3A (0.54) MAPK14GSK3ASRCSYK

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 4 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

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 MAPK14 3841/4885GSK3A 3419/4885SRC 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.