SCHEMBL6801739

SCHEMBL6801739

Cc1cc(C(C)(C)C)ccc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)cc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.63
ABL1 P00519 3/20 0.54
RAF1 P04049 3/20 0.54
LYN P07948 3/20 0.54
MAPK9 P45984 3/20 0.54
EGFR P00533 2/20 0.54
BRAF P15056 2/20 0.54
EPHA2 P29317 2/20 0.54
EPHA3 P29320 2/20 0.54
AKT1 P31749 1/20 0.54
SRC P12931 2/20 0.54
MAPK1 P28482 2/20 0.51
GALR3 O60755 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.46
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL4086203 0.95 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091569 0.89 MAPK14 (0.59) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5384018 0.87 MAPK14 (0.50) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6801738 0.85 MAPK14 (0.52) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091873 0.83 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6612084 0.83 ABL1 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098327 0.81 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087726 0.81 MAPK14 (0.54) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4086422 0.80 ABL1 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4085454 0.80 MAPK14 (0.82) 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-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 (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-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.