SCHEMBL6300965

SCHEMBL6300965

COc1c(NC(=O)Nc2ccc(Oc3ccnc(N)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 0.67
SRC P12931 10/20 0.66
SYK P43405 10/20 0.66
MAPK14 Q16539 10/20 0.66
CYP3A4 P08684 1/20 0.66
CXCL8 P10145 1/20 0.64
LCK P06239 1/20 0.62

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
SCHEMBL23967439 0.92 GSK3A (0.67) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL16138970 0.92 GSK3A (0.67) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL16106395 0.92 GSK3A (0.69) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6546085 0.91 GSK3A (0.68) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6546904 0.91 MAPK14 (0.64) GSK3ASRCSYKMAPK14
SCHEMBL6298577 0.91 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6305196 0.91 MAPK14 (0.75) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6300975 0.91 GSK3A (0.66) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6298693 0.91 GSK3A (0.71) GSK3ASRCSYKMAPK14CYP3A4
SCHEMBL6305428 0.89 MAPK14 (0.64) GSK3ASRCSYKMAPK14CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852717-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-08 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 claimed
EP-1392661-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-03 EP 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-20030008868-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-09 US claimed
WO-2002092576-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-11-21 WO claimed
WO-2002083628-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO claimed
US-9790174-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-10-17 US disclosed
US-20150166483-A1 KINASE INHIBITORS RESPIVERT LTD (GB) 2015-06-18 US disclosed
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-1392661-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-03 EP disclosed
EP-1381592-A1 1,4-DISUBSTITUTED BENZO-FUSED COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
WO-2002092576-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-11-21 WO 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 (3 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-20030008868-A1 Compounds useful as anti-inflammatory agents TNF, MPO, PTGES GSK3A 3334/4885SRC 3231/4885SYK 2045/4885
US-20030083333-A1 1,4-Disubstituted benzo-fused compounds RELA, NFKBIA, NQO1 GSK3A 3419/4885SRC 2052/4885SYK 1058/4885
US-20150166483-A1 KINASE INHIBITORS LCK, SYK, FYN GSK3A 419/4885SRC 4/4885SYK 2/4885

“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.