SCHEMBL6300967

SCHEMBL6300967

COc1c(NC(=O)Nc2ccc(Oc3cc(C)nc(N(C)C4CC4)n3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 14/20 0.58
MAPK14 Q16539 14/20 0.57
SRC P12931 11/20 0.57
SYK P43405 11/20 0.57
LCK P06239 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL6300970 0.91 GSK3A (0.67) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6547065 0.89 GSK3A (0.65) GSK3AMAPK14SRCSYKCYP3A4
SCHEMBL6547349 0.86 MAPK14 (0.65) GSK3AMAPK14SRCSYKLCK
SCHEMBL6546544 0.86 MAPK14 (0.64) GSK3AMAPK14SRCSYKLCK
SCHEMBL6305428 0.86 MAPK14 (0.64) GSK3AMAPK14SRCSYKLCK
SCHEMBL6545968 0.86 MAPK14 (0.64) GSK3AMAPK14SRCSYKLCK
SCHEMBL6643809 0.85 MAPK14 (0.55) GSK3AMAPK14SRCSYKLCK
SCHEMBL6298537 0.84 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6299820 0.84 MAPK14 (0.62) GSK3AMAPK14SRCSYKLCK
SCHEMBL6305438 0.84 MAPK14 (0.59) GSK3AMAPK14SRCSYKLCK

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 5 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
US-6852717-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-08 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-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.