SCHEMBL858893

SCHEMBL858893

CC1(C)CCc2nc(CN(C(=O)O)C3(Cc4ccccc4)CCCC3)nc(Cl)c2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 8/20 0.34
AURKA O14965 2/20 0.33
ITK Q08881 2/20 0.33
USP7 Q93009 3/20 0.32
USP10 Q14694 1/20 0.32
EEF2K O00418 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
HTR2C P28335 1/20 0.31
LCK P06239 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
SCHEMBL858891 0.95 TP53 (0.35) TP53MAPTSMN1; SMN2MAPK1ACHE
SCHEMBL3723441 0.78 ACHE (0.35) TP53ACHEEEF2K
SCHEMBL3717335 0.77 AGER (0.34) TP53ACHEEEF2K
SCHEMBL857463 0.76 AURKA (0.36) TP53MAPTSMN1; SMN2MAPK1ACHE
SCHEMBL3717391 0.76 ACHE (0.35) TP53MAPTACHEEEF2K
SCHEMBL3717468 0.75 ACHE (0.32) ACHEEEF2KTNKS2
SCHEMBL856425 0.74 ACHE (0.36) MAPK1ACHETNKS2
SCHEMBL3713675 0.73 ACHE (0.32) ACHEEEF2K
SCHEMBL857298 0.73 ACHE (0.35) MAPK1ACHEAURKAITK
SCHEMBL856242 0.72 ACHE (0.35) MAPK1ACHE

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 4 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-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

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 TP53 3910/4885MAPT 1278/4885SMN1; SMN2 3705/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA TP53 3620/4885MAPT 1639/4885SMN1; SMN2 3798/4885

“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.