SCHEMBL856296

SCHEMBL856296

Cc1ncnc(N2CCOc3ccc(-c4cnc5nc(N)[nH]c5c4)cc3C2)c1Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.34
KIT P10721 5/20 0.34
AURKA O14965 1/20 0.33
FLT1 P17948 1/20 0.33
GCK P35557 1/20 0.33
FLT4 P35916 1/20 0.33
MAP3K11 Q16584 1/20 0.33
STK17A Q9UEE5 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PRKDC P78527 1/20 0.33
PIK3CA P42336 5/20 0.33
RPS6KB1 P23443 2/20 0.32
CREBBP Q92793 1/20 0.32
IGF1R P08069 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GPR142 Q7Z601 1/20 0.31
MBOAT4 Q96T53 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
SCHEMBL857055 0.90 GRIA1 (0.43) GRIA1KITPRKDCPIK3CARPS6KB1
SCHEMBL858821 0.89 AURKA (0.33) KITAURKAFLT1GCKFLT4
SCHEMBL3719530 0.88 GPR142 (0.36) KITAURKAFLT1GCKFLT4
SCHEMBL3749918 0.87 PIK3CA (0.37) GRIA1AURKAFLT1GCKFLT4
SCHEMBL856691 0.86 PIK3CA (0.34) KITAURKAFLT1GCKFLT4
SCHEMBL858284 0.86 GRIA1 (0.37) GRIA1KITPRKDCPIK3CARPS6KB1
SCHEMBL856184 0.86 PIK3CA (0.38) KITPRKDCPIK3CARPS6KB1GPR142
SCHEMBL13056695 0.86 GPR142 (0.35) KITAURKAFLT1GCKFLT4
SCHEMBL859239 0.86 RPS6KB1 (0.36) KITAURKAFLT1GCKFLT4
SCHEMBL7860978 0.85 PRKDC (0.33) KITAURKAFLT1GCKFLT4

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 11 patents. 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
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GRIA1 528/4885KIT 224/4885AURKA 2405/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GRIA1 539/4885KIT 190/4885AURKA 2347/4885

“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.