SCHEMBL6738424

SCHEMBL6738424

Cc1ccc(-n2ncc(C(C)(C)C)c2NC(=O)Nc2ccc(-c3ccc(CN4CC5CC4CO5)nc3)c3ccccc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
RAF1 P04049 2/20 0.45
LYN P07948 2/20 0.45
MAPK9 P45984 2/20 0.45
SRC P12931 1/20 0.45
MAPK14 Q16539 3/20 0.41
EGFR P00533 1/20 0.39
BRAF P15056 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHA3 P29320 1/20 0.39
AKT1 P31749 1/20 0.39
TNF P01375 3/20 0.38
WNT1 P04628 4/20 0.33
GSK3B P49841 4/20 0.33
DYRK1A Q13627 4/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL4081728 0.86 ABL1 (0.62) ABL1RAF1LYNMAPK9SRC
SCHEMBL4095418 0.77 MAPK14 (0.69) ABL1RAF1LYNMAPK9SRC
SCHEMBL6732562 0.77 ABL1 (0.44) ABL1RAF1LYNMAPK9SRC
SCHEMBL6807712 0.77 ABL1 (0.54) ABL1RAF1LYNMAPK9SRC
SCHEMBL6731949 0.76 ABL1 (0.39) ABL1RAF1LYNMAPK9SRC
SCHEMBL6808706 0.76 ABL1 (0.45) ABL1RAF1LYNMAPK9SRC
SCHEMBL6732717 0.76 ABL1 (0.74) ABL1RAF1LYNMAPK9SRC
SCHEMBL5864520 0.75 ABL1 (0.63) ABL1RAF1LYNMAPK9SRC
SCHEMBL6841045 0.74 ABL1 (0.61) ABL1RAF1LYNMAPK9SRC
SCHEMBL7068622 0.73 SRC (0.60) 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-20040110755-A1 Combination therapy with p38 MAP kinase inhibitors and their pharmaceutical compositions BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-10 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-20040110755-A1 Combination therapy with p38 MAP kinase inhibitors and their pharmaceutical compositions MAPKAPK2, MAP3K1, MAP3K2 ABL1 273/4885RAF1 104/4885LYN 643/4885

“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.