SCHEMBL7865632

SCHEMBL7865632

COC(=O)Nc1nc2ccc(-c3ccc4c(c3)CN(c3ccnc5cc(OC)c(OC)cc35)CCO4)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
GPR142 Q7Z601 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 9/20 0.40
LCK P06239 8/20 0.40
MET P08581 7/20 0.40
PIK3CA P42336 1/20 0.40
TEK Q02763 5/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 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
SCHEMBL3717304 0.94 PIK3CA (0.42) NCF1GPR142KDRLCKMET
SCHEMBL13056703 0.92 GPR142 (0.39) NCF1GPR142KDRLCKMET
SCHEMBL7860627 0.90 CREBBP (0.47) GPR142LMNAPOLBHPGDBLM
SCHEMBL7859686 0.89 PDE10A (0.44) LMNAPOLBHPGDBLMSMN1; SMN2
SCHEMBL858428 0.89 NCF1 (0.42) NCF1GPR142KDRLCKMET
SCHEMBL3715695 0.86 KDR (0.39) NCF1GPR142KDRLCKMET
SCHEMBL857346 0.85 NCF1 (0.45) NCF1GPR142KDRLCKMET
SCHEMBL855635 0.85 NCF1 (0.40) NCF1GPR142KDRLCKMET
SCHEMBL15603621 0.84 LMNA (0.45) GPR142LMNAPOLBHPGDBLM
SCHEMBL3714926 0.83 PDGFRB (0.44) KDRPIK3CAPDGFRB

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 3 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 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 (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 NCF1 2814/4885GPR142 2004/4885LMNA 2157/4885

“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.