SCHEMBL859565

SCHEMBL859565

CN(C(=O)O)c1nc2ccc(-c3ccc4c(c3)CN(c3ncnc5ccccc35)CCO4)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.41
CREBBP Q92793 4/20 0.41
CLK4 Q9HAZ1 5/20 0.41
CYP3A4 P08684 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
GBA1 P04062 1/20 0.38
PTK2 Q05397 1/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
USP2 O75604 2/20 0.37
CYP2C19 P33261 2/20 0.37
GPR142 Q7Z601 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
SCHEMBL858992 0.90 PIK3CA (0.43) PIK3CACREBBPCLK4CYP3A4HSD17B10
SCHEMBL857760 0.90 CLK4 (0.43) PIK3CACLK4CYP3A4HSD17B10CYP2D6
SCHEMBL856104 0.89 CREBBP (0.46) PIK3CACREBBPGBA1GPR142
SCHEMBL856679 0.88 PDE10A (0.42) PIK3CACLK4CYP3A4HSD17B10CYP2D6
SCHEMBL15522613 0.88 PIK3CA (0.40) PIK3CACREBBP
SCHEMBL861578 0.88 CREBBP (0.46) PIK3CACREBBPGPR142
SCHEMBL3759077 0.84 PIK3CA (0.50) PIK3CACREBBPCLK4CYP3A4CYP2D6
SCHEMBL3716268 0.84 PIK3CA (0.42) PIK3CACREBBPCLK4CYP3A4HSD17B10
SCHEMBL15522763 0.84 PIK3CA (0.44) PIK3CACREBBPGPR142
SCHEMBL3756056 0.83 PIK3CA (0.43) PIK3CACREBBPGPR142

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 3/4885CREBBP 257/4885CLK4 2284/4885

“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.