Sugi Predict

Sugi Predict / Compounds / SCHEMBL6545813

SCHEMBL6545813

SCHEMBL6545813

COc1c(NC(=O)Nc2ccc(Oc3cc(C)nc(OCCN(C)C)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 16/20 0.65
▸ MAPK14 Q16539 11/20 0.65
▸ SRC P12931 11/20 0.65
▸ SYK P43405 11/20 0.65
▸ CYP3A4 P08684 1/20 0.57
▸ CXCL8 P10145 1/20 0.55
▸ LCK P06239 1/20 0.54

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
SCHEMBL6546724 0.91 GSK3A (0.63) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6545968 0.90 MAPK14 (0.64) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6306063 0.88 GSK3A (0.64) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6546518 0.86 MAPK14 (0.59) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6547349 0.86 MAPK14 (0.65) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6305428 0.85 MAPK14 (0.64) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6546544 0.85 MAPK14 (0.64) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6298537 0.84 MAPK14 (0.62) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6299820 0.84 MAPK14 (0.62) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6298580 0.84 GSK3A (0.69) GSK3AMAPK14SRCSYKCYP3A4

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
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
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 (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.