SCHEMBL3219003

SCHEMBL3219003

O=c1cc(Oc2cccc(NCc3ccccc3)c2)c2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.48
AR P10275 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 2/20 0.44
APP P05067 1/20 0.43
PTK6 Q13882 1/20 0.42
CACNA1B Q00975 1/20 0.42
F2 P00734 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
SCHEMBL13429262 0.91 F2 (0.46) BRAFARKDM4EMEN1GAA
SCHEMBL13428999 0.89 CACNA1B (0.50) BRAFARMEN1GAAKMT2A
SCHEMBL3214639 0.88 SMN1; SMN2 (0.49) BRAFKDM4EMEN1GAAKMT2A
SCHEMBL13428980 0.87 MEN1 (0.42) BRAFARKDM4EMEN1GAA
SCHEMBL3221532 0.85 GAA (0.41) BRAFKDM4EMEN1GAAKMT2A
SCHEMBL13429368 0.85 MEN1 (0.42) BRAFMEN1GAAKMT2AFFAR1
SCHEMBL3213960 0.85 MEN1 (0.40) BRAFARMEN1GAAKMT2A
SCHEMBL3227033 0.85 MEN1 (0.40) BRAFARMEN1GAAKMT2A
SCHEMBL3222698 0.84 ALDH1A1 (0.43) KDM4EMEN1GAAKMT2A
SCHEMBL13428985 0.84 MEN1 (0.41) BRAFKDM4EMEN1GAAKMT2A

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
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO 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
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 BRAF 85/4885AR 1058/4885KDM4E 728/4885

“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.