SCHEMBL15433944

SCHEMBL15433944

Cc1nc2cc(-c3cc(C)c4c(c3)CN(C(=O)N3CC[C@@](C)(O)C[C@@H]3c3ccccc3)CCO4)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
CREBBP Q92793 4/20 0.32
GPR142 Q7Z601 2/20 0.31
PRMT5 O14744 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A9 P48067 1/20 0.31
USP19 O94966 2/20 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
SCHEMBL9612613 1.00 PIK3CA (0.37) PIK3CACREBBPGPR142PRMT5KCNH2
SCHEMBL6126540 0.91 PIK3CA (0.47) PIK3CACREBBPGPR142
SCHEMBL6126917 0.91 PIK3CA (0.47) PIK3CACREBBPGPR142
SCHEMBL9612603 0.86 PIK3CA (0.39) PIK3CACREBBPPRMT5KCNH2SLC6A9
SCHEMBL9612604 0.86 PIK3CA (0.45) PIK3CACREBBPPRMT5KCNH2SLC6A9
SCHEMBL9612578 0.82 PIK3CA (0.46) PIK3CAPRMT5KCNH2SLC6A9
SCHEMBL9612492 0.81 PIK3CA (0.45) PIK3CACREBBPPRMT5KCNH2SLC6A9
SCHEMBL9612615 0.81 PIK3CA (0.45) PIK3CAPRMT5KCNH2SLC6A9
SCHEMBL9612609 0.81 PIK3CA (0.45) PIK3CAPRMT5KCNH2SLC6A9
SCHEMBL9612576 0.81 PIK3CA (0.45) PIK3CAPRMT5KCNH2SLC6A9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 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 (2 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 259/4885GPR142 1660/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 259/4885GPR142 1660/4885

“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.