SCHEMBL15523013

SCHEMBL15523013

Cc1nc2ncc(-c3ccc4c(c3)CN(c3nc(CCN5CCOCC5)nc5c3CC(C)(C)CC5)CCO4)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4D Q08499 4/20 0.33
PIK3CA P42336 2/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL861809 0.93 PIK3CA (0.33) PDE4BPDE4APDE4DPIK3CAKDM4E
SCHEMBL3763058 0.89 PIK3CA (0.36) PIK3CA
SCHEMBL855923 0.89 PIK3CA (0.35) PIK3CA
SCHEMBL858942 0.88 PIK3CA (0.33) PIK3CA
SCHEMBL855942 0.88 PIK3CA (0.34) PIK3CA
SCHEMBL856970 0.88 PIK3CA (0.34) PIK3CA
SCHEMBL859404 0.87 PIK3CA (0.37) PIK3CA
SCHEMBL859209 0.87 PIK3CA (0.33) PIK3CA
SCHEMBL858621 0.87 PIK3CA (0.33) PIK3CA
SCHEMBL855920 0.87 PIK3CA (0.33) PIK3CA

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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDE4B 817/4885PDE4A 924/4885PDE4D 1352/4885

“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.