SCHEMBL3224822

SCHEMBL3224822

CN1CCN(CCNc2ccc(-c3cccc(Oc4cc(=O)[nH]c5ccccc45)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
DRD3 P35462 4/20 0.42
TLR7 Q9NYK1 4/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR9 Q9NR96 3/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KAT2B Q92831 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
MPO P05164 1/20 0.37
POLB P06746 1/20 0.36
ALK Q9UM73 1/20 0.36
BRD4 O60885 1/20 0.36
TERT O14746 1/20 0.36

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
SCHEMBL13429296 0.93 LTA4H (0.41) DRD2DRD3TLR7TLR8TLR9
SCHEMBL3216819 0.84 FLT3 (0.44) TLR7TLR8TLR9POLB
SCHEMBL3202232 0.83 MEN1 (0.43) MEN1GAAKMT2A
SCHEMBL13429299 0.82 MEN1 (0.43) TLR7TLR8TLR9MEN1GAA
SCHEMBL13429326 0.81 DRD2 (0.48) DRD2TLR7TLR8TLR9MEN1
SCHEMBL7933316 0.79 CNR1 (0.47) TLR7TLR8TLR9KMT2A
SCHEMBL13429032 0.78 KDR (0.48) GAAKMT2ATERT
SCHEMBL13429021 0.77 TNKS (0.52) TLR7TLR8TLR9ALK
SCHEMBL13429351 0.77 FGFR1 (0.42)
SCHEMBL13429161 0.77 HPGD (0.54) MEN1KMT2A

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 3 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
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 DRD2 3605/4885DRD3 3657/4885TLR7 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.