SCHEMBL6411191

SCHEMBL6411191

O=C(Nc1cccc(CC(F)(F)F)c1F)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.59
ABL1 P00519 2/20 0.57
RAF1 P04049 2/20 0.57
LYN P07948 2/20 0.57
MAPK9 P45984 2/20 0.57
SRC P12931 1/20 0.57
EGFR P00533 1/20 0.55
BRAF P15056 1/20 0.55
EPHA2 P29317 1/20 0.55
EPHA3 P29320 1/20 0.55
AKT1 P31749 1/20 0.55
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MOK Q9UQ07 4/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
KDR P35968 1/20 0.39
WDR5 P61964 1/20 0.39
CHUK O15111 1/20 0.39

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
SCHEMBL4096211 0.89 MAPK14 (0.61) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092250 0.86 MAPK14 (0.72) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098068 0.84 MAPK14 (0.66) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL27483037 0.84 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL27504870 0.83 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4093523 0.82 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081262 0.82 MAPK14 (0.59) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092979 0.82 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL27462281 0.82 MAPK14 (0.75) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4088671 0.82 MAPK14 (0.67) 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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 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-20050163726-A1 Pharmaceutical compositions based on novel anticholinergics and p38 kinase inhibitors CHRM3, CHRNB1, CHRM2 MAPK14 83/4885ABL1 1495/4885RAF1 931/4885

“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.