SCHEMBL13456554

SCHEMBL13456554

CNCc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
PIK3CD O00329 2/20 0.42
ABL1 P00519 2/20 0.42
EGFR P00533 2/20 0.42
HCK P08631 2/20 0.42
SRC P12931 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
EPHB4 P54760 2/20 0.42
PRKDC P78527 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
NR1H2 P55055 11/20 0.40
NR1H3 Q13133 3/20 0.39
CHRNA7 P36544 1/20 0.38
S1PR1 P21453 1/20 0.38
OXER1 Q8TDS5 1/20 0.37
AKT1 P31749 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL8047542 0.88 BRD4 (0.44) KDRPIK3CDABL1EGFRHCK
SCHEMBL3007425 0.88 NR1H2 (0.45) KDRPIK3CDABL1EGFRHCK
SCHEMBL13428863 0.86 PIK3CD (0.45) KDRPIK3CDABL1EGFRHCK
SCHEMBL3047553 0.85 PDCD1 (0.41) KDRPIK3CDABL1EGFRHCK
SCHEMBL12043978 0.85 PIK3CD (0.44) KDRPIK3CDABL1EGFRHCK
SCHEMBL29658586 0.85 PIK3CD (0.44) KDRPIK3CDABL1EGFRHCK
SCHEMBL1057433 0.85 PIK3CD (0.44) KDRPIK3CDABL1EGFRHCK
SCHEMBL7933007 0.85 CHRNA7 (0.34) KDRPIK3CDABL1EGFRHCK
SCHEMBL1058348 0.84 PIK3CD (0.44) KDRPIK3CDABL1EGFRHCK
SCHEMBL10819613 0.84 PIK3CD (0.44) KDRPIK3CDABL1EGFRHCK

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 1 patent. 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

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 KDR 442/4885PIK3CD 11/4885ABL1 93/4885

“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.