SCHEMBL858099

SCHEMBL858099

Nc1ccc(-c2ccc3c(c2)CN(c2ncncc2Cc2ccc(F)cc2)CCO3)nc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.36
GPR142 Q7Z601 2/20 0.34
HDAC10 Q969S8 2/20 0.34
CREBBP Q92793 1/20 0.31
NTRK1 P04629 1/20 0.31
AURKA O14965 1/20 0.31
FLT1 P17948 1/20 0.31
GCK P35557 1/20 0.31
FLT4 P35916 1/20 0.31
MAP3K11 Q16584 1/20 0.31
STK17A Q9UEE5 1/20 0.31
TNIK Q9UKE5 1/20 0.31
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
LRRK2 Q5S007 1/20 0.31
NSD2 O96028 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL862212 0.89 RPS6KB1 (0.35) RPS6KB1GPR142CREBBPNTRK1AURKA
SCHEMBL3717313 0.80 GPR142 (0.37) GPR142HDAC10CREBBPAURKAFLT1
SCHEMBL856395 0.80 GPR142 (0.34) RPS6KB1GPR142NTRK1HTR1ADRD2
SCHEMBL859650 0.78 GPR142 (0.34) GPR142CREBBPAURKAFLT1GCK
SCHEMBL859239 0.73 RPS6KB1 (0.36) RPS6KB1GPR142AURKAFLT1GCK
SCHEMBL858299 0.73 RPS6KB1 (0.36) RPS6KB1GPR142CREBBPAURKAFLT1
SCHEMBL856838 0.73 SLC6A2 (0.36) RPS6KB1GPR142STK4STK3LRRK2
SCHEMBL13082143 0.72 PIK3CA (0.39) GPR142CREBBPAURKAFLT1GCK
SCHEMBL856498 0.72 RPS6KB1 (0.32) RPS6KB1MAPTRAB9ADRD2
SCHEMBL856826 0.72 KIT (0.35) RPS6KB1GPR142STK4STK3LRRK2

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-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
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
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 RPS6KB1 32/4885GPR142 1660/4885HDAC10 1390/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA RPS6KB1 32/4885GPR142 2004/4885HDAC10 1225/4885

“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.