SCHEMBL856691

SCHEMBL856691

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.34
GPR142 Q7Z601 1/20 0.33
CREBBP Q92793 4/20 0.32
KIT P10721 1/20 0.32
AURKA O14965 1/20 0.32
FLT1 P17948 1/20 0.32
GCK P35557 1/20 0.32
FLT4 P35916 1/20 0.32
MAP3K11 Q16584 1/20 0.32
STK17A Q9UEE5 1/20 0.32
TNIK Q9UKE5 1/20 0.32
PRKDC P78527 1/20 0.31
MTOR P42345 1/20 0.31
RIPK1 Q13546 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
SCHEMBL861444 0.91 PIK3CA (0.40) PIK3CAGPR142CREBBP
SCHEMBL3719530 0.88 GPR142 (0.36) PIK3CAGPR142CREBBPKITAURKA
SCHEMBL856296 0.86 GRIA1 (0.34) PIK3CAGPR142CREBBPKITAURKA
SCHEMBL13056695 0.85 GPR142 (0.35) PIK3CAGPR142CREBBPKITAURKA
SCHEMBL858821 0.84 AURKA (0.33) PIK3CAGPR142CREBBPKITAURKA
SCHEMBL3749918 0.83 PIK3CA (0.37) PIK3CAGPR142CREBBPAURKAFLT1
SCHEMBL3760455 0.81 PIK3CA (0.41) PIK3CAGPR142CREBBPAURKAMTOR
SCHEMBL856829 0.80 GPR142 (0.41) PIK3CAGPR142CREBBPRIPK1
SCHEMBL861032 0.80 PIK3CA (0.47) PIK3CAGPR142CREBBPKIT
SCHEMBL857474 0.79 TNIK (0.37) PIK3CAGPR142CREBBPKITAURKA

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 2 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
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP 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 PIK3CA 3/4885GPR142 2004/4885CREBBP 257/4885

“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.