SCHEMBL13428863

SCHEMBL13428863

CC(C)NCc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.45
ABL1 P00519 2/20 0.45
EGFR P00533 2/20 0.45
HCK P08631 2/20 0.45
SRC P12931 2/20 0.45
KDR P35968 2/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
MTOR P42345 2/20 0.45
PIK3CG P48736 2/20 0.45
EPHB4 P54760 2/20 0.45
PRKDC P78527 2/20 0.45
PI4KB Q9UBF8 2/20 0.45
PARP1 P09874 1/20 0.39
NR1H2 P55055 9/20 0.38
CHRNA7 P36544 1/20 0.36
SMO Q99835 1/20 0.36
NR1H3 Q13133 2/20 0.36
S1PR1 P21453 1/20 0.36
OXER1 Q8TDS5 1/20 0.35

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
SCHEMBL13456554 0.86 KDR (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL5808949 0.85 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL8269619 0.85 PIK3CD (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL8047542 0.84 BRD4 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL3007425 0.84 NR1H2 (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL3047553 0.82 PDCD1 (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL12043978 0.82 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1057433 0.82 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL29658586 0.82 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL1058348 0.81 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC

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 PIK3CD 11/4885ABL1 93/4885EGFR 199/4885

“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.