SCHEMBL13428822

SCHEMBL13428822

CC(C)NCc1ccc(F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC2A1 P11166 1/20 0.36
MAP4K4 O95819 1/20 0.36
PARP1 P09874 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
AURKA O14965 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34

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
SCHEMBL7993517 0.85 CXCR4 (0.38) CD274CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL12779730 0.79 CD274 (0.45) CD274KCNH2SLC2A1PARP1DYRK1A
SCHEMBL6348675 0.79 CYP11B1 (0.42) CD274CYP11B1CYP11B2DYRK1ACLK4
SCHEMBL13428881 0.78 CPB2 (0.45) CD274SLC2A1MAP4K4PARP1
SCHEMBL30493956 0.78 KDM4E (0.54) CD274
SCHEMBL7660114 0.78 KDM4E (0.54) CD274
SCHEMBL12844982 0.77 KDM1A (0.47) CYP2C19
SCHEMBL20666278 0.76 CPB2 (0.41) CD274CYP11B1CYP11B2KCNH2SLC2A1
SCHEMBL10246359 0.76 LMNA (0.41) CYP11B1CYP11B2DYRK1ACLK4CYP3A4
SCHEMBL13428866 0.75 CD274 (0.40) CD274KCNH2SLC2A1PARP1

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 CD274 2806/4885CYP11B1 1727/4885CYP11B2 1989/4885

“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.