SCHEMBL6428329

SCHEMBL6428329

CC(C)(C)c1ccc(C(=O)N2CCOCC2)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1.COc1c(CC(N)=O)cc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.68
ABL1 P00519 2/20 0.67
RAF1 P04049 2/20 0.67
LYN P07948 2/20 0.67
MAPK9 P45984 2/20 0.67
EGFR P00533 1/20 0.67
BRAF P15056 1/20 0.67
EPHA2 P29317 1/20 0.67
EPHA3 P29320 1/20 0.67
AKT1 P31749 1/20 0.67
SRC P12931 14/20 0.52
GSK3A P49840 15/20 0.51
SYK P43405 7/20 0.46

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
SCHEMBL4095732 0.89 MAPK14 (0.77) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092835 0.85 ABL1 (0.78) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081714 0.84 ABL1 (0.77) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092801 0.84 MAPK14 (0.78) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6428327 0.84 MAPK14 (0.62) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4086564 0.84 ABL1 (0.80) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6053406 0.84 ABL1 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6599887 0.83 ABL1 (0.80) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081446 0.83 ABL1 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6298768 0.83 ABL1 (0.79) MAPK14ABL1RAF1LYNMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148555-A1 Methods of treating COPD and pulmonary hypertension BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-07 US 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-20050148555-A1 Methods of treating COPD and pulmonary hypertension PTGIS, PTGS1, MAPKAPK5 MAPK14 55/4885ABL1 2764/4885RAF1 663/4885

“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.