SCHEMBL859650

SCHEMBL859650

CN(C(=O)O)c1nc2ccc(-c3ccc4c(c3)CN(c3ncncc3Cc3ccc(F)cc3)CCO4)nc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.34
PIK3CA P42336 8/20 0.32
CREBBP Q92793 6/20 0.32
NAMPT P43490 2/20 0.31
MAP4K4 O95819 1/20 0.30
AURKA O14965 1/20 0.30
FLT1 P17948 1/20 0.30
GCK P35557 1/20 0.30
FLT4 P35916 1/20 0.30
MAP3K11 Q16584 1/20 0.30
STK17A Q9UEE5 1/20 0.30
TNIK Q9UKE5 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
SCHEMBL3717313 0.87 GPR142 (0.37) GPR142PIK3CACREBBPNAMPTAURKA
SCHEMBL861444 0.78 PIK3CA (0.40) GPR142PIK3CACREBBP
SCHEMBL858099 0.78 RPS6KB1 (0.36) GPR142CREBBPAURKAFLT1GCK
SCHEMBL862212 0.76 RPS6KB1 (0.35) GPR142CREBBPAURKAFLT1GCK
SCHEMBL856826 0.74 KIT (0.35) GPR142PIK3CA
SCHEMBL856691 0.74 PIK3CA (0.34) GPR142PIK3CACREBBPAURKAFLT1
SCHEMBL856395 0.73 GPR142 (0.34) GPR142
SCHEMBL7806917 0.72 PIK3CA (0.46) GPR142PIK3CACREBBP
SCHEMBL15522613 0.71 PIK3CA (0.40) PIK3CACREBBP
SCHEMBL3756056 0.70 PIK3CA (0.43) GPR142PIK3CACREBBP

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 GPR142 2004/4885PIK3CA 3/4885CREBBP 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.