SCHEMBL3209472

SCHEMBL3209472

CN(C)CCCOc1ccc(-c2cccc(Oc3cc(=O)[nH]c4ccccc34)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.49
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
FYN P06241 2/20 0.46
ATM Q13315 14/20 0.45
MTOR P42345 8/20 0.45
PIK3CA P42336 8/20 0.45
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CB P42338 1/20 0.44
PRKDC P78527 1/20 0.44
METAP2 P50579 1/20 0.43
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
CHEK2 O96017 1/20 0.40

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
SCHEMBL13429204 0.92 TLR9 (0.49) TLR9TLR8TLR7FYNATM
SCHEMBL3209675 0.78 MAP4K4 (0.43) TLR9TLR8TLR7FYNATM
SCHEMBL13429354 0.78 GRIN2D (0.41) TLR8TLR7
SCHEMBL13429299 0.77 MEN1 (0.43) TLR9TLR8TLR7
SCHEMBL13429205 0.76 KDM4E (0.56) TLR9TLR8TLR7FYNMETAP2
SCHEMBL13429161 0.75 HPGD (0.54) ATM
SCHEMBL3202341 0.75 HPGD (0.47) TLR8TLR7
SCHEMBL13429221 0.74 JAK2 (0.48) TLR9TLR8TLR7FYN
SCHEMBL13429021 0.74 TNKS (0.52) TLR9TLR8TLR7FYNATM
SCHEMBL13429223 0.73 FYN (0.49) TLR9TLR8TLR7FYN

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 4 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 claimed
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
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 TLR9 1426/4885TLR8 3578/4885TLR7 1399/4885

“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.