SCHEMBL13429021

SCHEMBL13429021

CN1CCN(c2ccc(-c3cccc(Oc4cc(=O)[nH]c5ccccc45)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.52
TLR9 Q9NR96 4/20 0.49
TLR8 Q9NR97 4/20 0.49
TLR7 Q9NYK1 4/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ALK Q9UM73 1/20 0.46
FYN P06241 2/20 0.46
PLK4 O00444 1/20 0.44
FLT3 P36888 1/20 0.44
MGLL Q99685 3/20 0.44
ATM Q13315 1/20 0.43
TDO2 P48775 1/20 0.41
IL2 P60568 1/20 0.41
MAP4K1 Q92918 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41

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
SCHEMBL13429268 0.90 TLR9 (0.47) TLR9TLR8TLR7MGLLIL2
SCHEMBL13429202 0.89 TLR9 (0.45) TNKSTLR9TLR8TLR7ALK
SCHEMBL13429235 0.89 CNR2 (0.51) TLR8TLR7MGLLTDO2MAP4K1
SCHEMBL13429243 0.85 CKS1B (0.48) TLR8TLR7MGLL
SCHEMBL13429057 0.82 ALK (0.48) TNKSTLR9TLR8TLR7ALK
SCHEMBL3225576 0.82 KIF11 (0.47) TLR9TLR8TLR7
SCHEMBL13429354 0.80 GRIN2D (0.41) TLR8TLR7
SCHEMBL3209675 0.80 MAP4K4 (0.43) TLR9TLR8TLR7FYNATM
SCHEMBL13429163 0.80 AXL (0.41) PRMT5WDR77FYNFLT3
SCHEMBL13429309 0.78 TLR9 (0.44) TLR9TLR8TLR7

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
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA TNKS 506/4885TLR9 1426/4885TLR8 3578/4885

“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.