SCHEMBL3714926

SCHEMBL3714926

COc1cc2ncnc(N3CCOc4ccc(-c5ccc6nc(NC(=O)O)[nH]c6c5)cc4C3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.44
PDE10A Q9Y233 2/20 0.44
PDGFRA P16234 5/20 0.42
PIK3CA P42336 1/20 0.42
GAK O14976 1/20 0.42
ACHE P22303 3/20 0.41
BACE1 P56817 3/20 0.41
KIT P10721 3/20 0.40
FLT3 P36888 2/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL7859686 0.94 PDE10A (0.44) PDGFRBPDE10APDGFRAPIK3CAGAK
SCHEMBL3716243 0.91 MTNR1B (0.44) PDGFRBPIK3CA
SCHEMBL3717304 0.89 PIK3CA (0.42) PDGFRBPIK3CAKDR
SCHEMBL861756 0.89 PDE10A (0.44) PDGFRBPDE10APDGFRAGAKACHE
SCHEMBL857984 0.88 PDE10A (0.48) PDGFRBPDE10APDGFRAPIK3CAGAK
SCHEMBL3716268 0.88 PIK3CA (0.42) PIK3CA
SCHEMBL856679 0.87 PDE10A (0.42) PDGFRBPDE10APDGFRAPIK3CAGAK
SCHEMBL3757188 0.85 BTK (0.42) PIK3CAKIT
SCHEMBL13056673 0.85 MTNR1B (0.44) PDGFRBPIK3CA
SCHEMBL7858604 0.84 LMNA (0.47) PIK3CAKDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US claimed
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-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO 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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO 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 PDGFRB 1294/4885PDE10A 758/4885PDGFRA 1516/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PDGFRB 1410/4885PDE10A 663/4885PDGFRA 1653/4885

“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.