SCHEMBL13429356

SCHEMBL13429356

O=c1cc(Oc2cccc(NCc3cnc4[nH]ccc4c3)c2)c2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
KLKB1 P03952 5/20 0.43
BRAF P15056 6/20 0.39
KLK1 P06870 2/20 0.39
CDK8 P49336 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
SRC P12931 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 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
SCHEMBL3214363 0.87 CYP1A2 (0.44) BRAFMEN1GAAKMT2AGRM5
SCHEMBL13429368 0.82 MEN1 (0.42) BRAFCDK8MEN1GAAKMT2A
SCHEMBL3227033 0.82 MEN1 (0.40) BRAFMEN1GAAKMT2AGRM5
SCHEMBL3221532 0.82 GAA (0.41) BRAFMEN1GAAKMT2AGRM5
SCHEMBL3219003 0.82 BRAF (0.48) BRAFMEN1GAAKMT2A
SCHEMBL13429319 0.81 MEN1 (0.45) MEN1GAAKMT2AGRM5GABRA1
SCHEMBL13429262 0.81 F2 (0.46) BRAFMEN1GAAKMT2AKDR
SCHEMBL3213960 0.80 MEN1 (0.40) BRAFMEN1GAAKMT2A
SCHEMBL3214639 0.80 SMN1; SMN2 (0.49) BRAFMEN1GAAKMT2A
SCHEMBL13429362 0.80 CACNA1B (0.41) BRAFMEN1GAAKMT2AGRM5

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 ABL1 93/4885KLKB1 4198/4885BRAF 85/4885

“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.