SCHEMBL4095714

SCHEMBL4095714

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)n(-c2cnn(CCCS(C)(=O)=O)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.72
RAF1 P04049 3/20 0.72
LYN P07948 3/20 0.72
MAPK9 P45984 3/20 0.72
SRC P12931 2/20 0.72
EGFR P00533 2/20 0.55
BRAF P15056 2/20 0.55
EPHA2 P29317 2/20 0.55
EPHA3 P29320 2/20 0.55
AKT1 P31749 1/20 0.55
MAPK14 Q16539 12/20 0.54
TNF P01375 6/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
DDR2 Q16832 3/20 0.52
CIT O14578 1/20 0.52
MUSK O15146 1/20 0.52
MAP3K7 O43318 1/20 0.52
RIPK2 O43353 1/20 0.52

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
SCHEMBL4464342 0.91 ABL1 (0.73) ABL1RAF1LYNMAPK9SRC
SCHEMBL4082209 0.90 ABL1 (0.72) ABL1RAF1LYNMAPK9SRC
SCHEMBL4091897 0.89 ABL1 (0.83) ABL1RAF1LYNMAPK9SRC
SCHEMBL4087144 0.84 ABL1 (0.84) ABL1RAF1LYNMAPK9SRC
SCHEMBL3185172 0.84 ABL1 (1.00) ABL1RAF1LYNMAPK9SRC
SCHEMBL4086140 0.84 ABL1 (0.88) ABL1RAF1LYNMAPK9SRC
SCHEMBL4557827 0.83 ABL1 (0.84) ABL1RAF1LYNMAPK9SRC
SCHEMBL6279509 0.83 ABL1 (0.89) ABL1RAF1LYNMAPK9SRC
SCHEMBL5326504 0.83 ABL1 (0.91) ABL1RAF1LYNMAPK9SRC
SCHEMBL4082392 0.83 ABL1 (0.81) ABL1RAF1LYNMAPK9SRC

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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 ABL1 1152/4885RAF1 300/4885LYN 1105/4885

“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.