SCHEMBL856104

SCHEMBL856104

CN(C(=O)O)c1nc2ccc(-c3ccc4c(c3)CN(c3nccc5ccccc35)CCO4)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.46
PIK3CA P42336 11/20 0.41
GRIA1 P42261 1/20 0.37
GPR142 Q7Z601 2/20 0.37
GBA1 P04062 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL859565 0.89 PIK3CA (0.41) CREBBPPIK3CAGPR142GBA1
SCHEMBL861578 0.88 CREBBP (0.46) CREBBPPIK3CAGRIA1GPR142
SCHEMBL15522763 0.88 PIK3CA (0.44) CREBBPPIK3CAGPR142
SCHEMBL858992 0.87 PIK3CA (0.43) CREBBPPIK3CAGPR142GBA1
SCHEMBL858585 0.84 PIK3CA (0.50) CREBBPPIK3CAGPR142GBA1HRH4
SCHEMBL3715967 0.84 CREBBP (0.47) CREBBPPIK3CAGPR142GBA1
SCHEMBL15522613 0.83 PIK3CA (0.40) CREBBPPIK3CA
SCHEMBL3756056 0.83 PIK3CA (0.43) CREBBPPIK3CAGPR142
SCHEMBL13056676 0.82 CREBBP (0.47) CREBBPPIK3CAGPR142
SCHEMBL856679 0.82 PDE10A (0.42) 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 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 CREBBP 257/4885PIK3CA 3/4885GRIA1 539/4885

“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.