SCHEMBL7245231

SCHEMBL7245231

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(C3=CC(NCCN4C=CC=CC4)CCC3)c3ccccc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.51
TNF P01375 7/20 0.51
ABL1 P00519 2/20 0.44
RAF1 P04049 2/20 0.44
LYN P07948 2/20 0.44
SRC P12931 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK12 P53778 7/20 0.42
HCK P08631 4/20 0.42
MAPK13 O15264 3/20 0.42
MAPK11 Q15759 3/20 0.42
DDR2 Q16832 2/20 0.42
BRAF P15056 2/20 0.42
CIT O14578 1/20 0.42
MUSK O15146 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL4092098 0.88 MAPK14 (0.58) MAPK14TNFABL1RAF1LYN
SCHEMBL4088478 0.88 MAPK14 (0.53) MAPK14TNFABL1RAF1LYN
SCHEMBL4096569 0.87 MAPK14 (0.53) MAPK14TNFABL1RAF1LYN
SCHEMBL4095996 0.87 MAPK14 (0.67) MAPK14TNFABL1RAF1LYN
SCHEMBL4081559 0.85 MAPK14 (0.54) MAPK14TNFABL1RAF1LYN
SCHEMBL4082184 0.85 MAPK14 (0.55) MAPK14TNFABL1RAF1LYN
SCHEMBL4087227 0.85 MAPK14 (0.51) MAPK14TNFABL1RAF1LYN
SCHEMBL4092260 0.84 MAPK14 (0.53) MAPK14TNFABL1RAF1LYN
SCHEMBL4095975 0.84 MAPK14 (0.53) MAPK14TNFABL1RAF1LYN
SCHEMBL4086088 0.84 MAPK14 (0.51) MAPK14TNFSRCMAPK12HCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656933-B2 Novel compounds which inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-02 US disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 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-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO MAPK14 2740/4885TNF 2/4885ABL1 3659/4885

“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.