SCHEMBL856409

SCHEMBL856409

COC(=O)c1ccc(-c2ccc3c(c2)CN(c2ncnc(C)c2Cc2ccc(F)cc2)CCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 7/20 0.41
RPS6KB1 P23443 3/20 0.39
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
RIPK1 Q13546 1/20 0.36
AR P10275 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
PIK3CA P42336 4/20 0.35
PIK3CD O00329 1/20 0.35
MTOR P42345 1/20 0.35
GABRA5 P31644 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL858885 0.91 GPR142 (0.42) GPR142RIPK1PIK3CAPIK3CDMTOR
SCHEMBL856829 0.91 GPR142 (0.41) GPR142RIPK1PIK3CACREBBP
Hydrochloric Acid SCHEMBL3754891 0.91 GPR142 (0.41) GPR142RIPK1PIK3CAPIK3CDMTOR
SCHEMBL857097 0.91 GPR142 (0.41) GPR142RIPK1PIK3CACREBBP
SCHEMBL858637 0.91 GPR142 (0.41) GPR142RIPK1CHRM5CHRM1PIK3CA
SCHEMBL857084 0.89 GPR142 (0.41) GPR142RIPK1PIK3CACREBBP
SCHEMBL3806500 0.88 ALDH1A1 (0.41) GPR142CHRM1
SCHEMBL856044 0.88 HTR2A (0.41) GPR142CHRM1GABRA5
SCHEMBL3806052 0.88 PDE10A (0.40) GPR142GSK3AGSK3BCREBBP
Hydrochloric Acid SCHEMBL3801651 0.87 ALDH1A1 (0.40) GPR142CHRM1

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 6 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
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 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 GPR142 1660/4885RPS6KB1 32/4885GSK3A 26/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 2004/4885RPS6KB1 32/4885GSK3A 24/4885

“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.