SCHEMBL15499243

SCHEMBL15499243

Cc1nc2ncc(-c3ccc4c(c3)CN(c3nc(CN(C)C)nc(C)c3C(C)C)CCO4)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.36
RET P07949 1/20 0.32
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL3760531 0.88 PIK3CA (0.39) PIK3CAMAP4K1
SCHEMBL3759676 0.88 PIK3CA (0.34) PIK3CA
SCHEMBL857247 0.88 PIK3CA (0.39) PIK3CA
SCHEMBL861757 0.86 PIK3CA (0.35) PIK3CARET
SCHEMBL859032 0.85 PIK3CA (0.39) PIK3CAMAP4K1
SCHEMBL856926 0.84 PIK3CA (0.40) PIK3CARETMAP4K1
SCHEMBL15605838 0.83 PIK3CA (0.32) PIK3CA
SCHEMBL856497 0.82 AURKA (0.36) PIK3CARET
SCHEMBL856970 0.82 PIK3CA (0.34) PIK3CARET
SCHEMBL8880661 0.82 PIK3CA (0.45) 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-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 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-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885RET 2276/4885MAP4K1 159/4885

“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.