SCHEMBL6298580

SCHEMBL6298580

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 16/20 0.69
MAPK14 Q16539 11/20 0.69
SRC P12931 11/20 0.69
SYK P43405 11/20 0.69
CYP3A4 P08684 1/20 0.62
CXCL8 P10145 1/20 0.60

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
SCHEMBL6643837 0.94 GSK3A (0.67) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6305196 0.91 MAPK14 (0.75) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6546195 0.91 GSK3A (0.63) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6545938 0.90 GSK3A (0.65) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6298782 0.89 GSK3A (0.74) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL23967439 0.88 GSK3A (0.67) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6300965 0.88 GSK3A (0.67) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6546088 0.88 GSK3A (0.62) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6299787 0.87 SRC (0.70) GSK3AMAPK14SRCSYKCXCL8
SCHEMBL6300970 0.87 GSK3A (0.67) 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 4 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
EP-1392661-A1 DIARYLUREA DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-03-03 EP 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

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-20030008868-A1 Compounds useful as anti-inflammatory agents TNF, MPO, PTGES GSK3A 3334/4885MAPK14 2714/4885SRC 3231/4885

“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.