SCHEMBL4464285

SCHEMBL4464285

N#Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)c1.O=C(Nc1cccc(F)c1)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.57
ABL1 P00519 2/20 0.54
RAF1 P04049 2/20 0.54
LYN P07948 2/20 0.54
MAPK9 P45984 2/20 0.54
SRC P12931 1/20 0.54
EGFR P00533 1/20 0.53
BRAF P15056 1/20 0.53
EPHA2 P29317 1/20 0.53
EPHA3 P29320 1/20 0.53
AKT1 P31749 1/20 0.53
ERN1 O75460 1/20 0.47
CCR3 P51677 12/20 0.46
EPHX2 P34913 1/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL4087747 0.96 MAPK14 (0.60) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4093523 0.93 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092891 0.87 MAPK14 (0.60) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4464288 0.85 MAPK14 (0.51) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4088671 0.84 MAPK14 (0.67) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098515 0.84 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4096948 0.84 ABL1 (0.68) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4088037 0.84 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4096998 0.83 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092250 0.83 MAPK14 (0.72) 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
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 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-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 MAPK14 74/4885ABL1 1152/4885RAF1 300/4885

“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.