SCHEMBL6410464

SCHEMBL6410464

COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCSCC4)nc3)c3ccccc23)cccc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.59
ABL1 P00519 2/20 0.59
RAF1 P04049 2/20 0.59
LYN P07948 2/20 0.59
MAPK9 P45984 2/20 0.59
EGFR P00533 1/20 0.59
BRAF P15056 1/20 0.59
EPHA2 P29317 1/20 0.59
EPHA3 P29320 1/20 0.59
AKT1 P31749 1/20 0.59
SRC P12931 3/20 0.51
LPAR1 Q92633 1/20 0.37
SYK P43405 2/20 0.36
GSK3A P49840 1/20 0.36
ERN1 O75460 4/20 0.36
P2RY1 P47900 2/20 0.36
ACP1 P24666 1/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL6410468 0.85 MAPK14 (0.76) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6807372 0.84 MAPK14 (0.68) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6811097 0.84 MAPK14 (0.66) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081824 0.83 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL7534192 0.83 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6614260 0.82 ABL1 (0.67) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6811116 0.82 MAPK14 (0.70) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6808009 0.81 MAPK14 (0.62) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6812272 0.81 MAPK14 (0.68) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5864520 0.81 ABL1 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 US disclosed
US-20040033222-A1 Anticoagulant and fibrinolytic therapy uning p38 MAP kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-19 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 (2 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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 MAPK14 83/4885ABL1 1495/4885RAF1 931/4885
US-20040033222-A1 Anticoagulant and fibrinolytic therapy uning p38 MAP kinase inhibitors TFPI2, TFPI, PLG MAPK14 30/4885ABL1 2261/4885RAF1 99/4885

“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.