SCHEMBL7235644

SCHEMBL7235644

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccncc3CN3CCOCC3)c3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.73
RAF1 P04049 2/20 0.73
LYN P07948 2/20 0.73
SRC P12931 2/20 0.73
MAPK9 P45984 2/20 0.73
MAPK14 Q16539 14/20 0.68
MAPK12 P53778 7/20 0.65
TNF P01375 6/20 0.65
HCK P08631 5/20 0.65
MAPK13 O15264 2/20 0.65
MAPK11 Q15759 2/20 0.65
CIT O14578 1/20 0.65
MUSK O15146 1/20 0.65
MAP3K7 O43318 1/20 0.65
RIPK2 O43353 1/20 0.65
STK10 O94804 1/20 0.65
MAP4K4 O95819 1/20 0.65
CHEK2 O96017 1/20 0.65
EGFR P00533 1/20 0.65
NTRK1 P04629 1/20 0.65

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
SCHEMBL29593440 0.89 MAPK14 (0.82) ABL1RAF1LYNSRCMAPK9
SCHEMBL295639 0.89 MAPK14 (0.82) ABL1RAF1LYNSRCMAPK9
SCHEMBL4082239 0.87 ABL1 (0.80) ABL1RAF1LYNSRCMAPK9
SCHEMBL4081894 0.86 MAPK14 (0.78) ABL1RAF1LYNSRCMAPK9
SCHEMBL4087013 0.85 ABL1 (0.85) ABL1RAF1LYNSRCMAPK9
SCHEMBL4086422 0.85 ABL1 (0.82) ABL1RAF1LYNSRCMAPK9
SCHEMBL3185172 0.85 ABL1 (1.00) ABL1RAF1LYNSRCMAPK9
SCHEMBL4088486 0.84 ABL1 (0.76) ABL1RAF1LYNSRCMAPK9
SCHEMBL4088324 0.84 ABL1 (0.78) ABL1RAF1LYNSRCMAPK9
SCHEMBL4092226 0.84 ABL1 (0.73) ABL1RAF1LYNSRCMAPK9

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 ABL1 3659/4885RAF1 2736/4885LYN 2351/4885

“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.