SCHEMBL3758925

SCHEMBL3758925

CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc(Cl)c(NC(=O)O)c5)cc4C3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 15/20 0.36
PIK3CA P42336 2/20 0.36
CYP2D6 P10635 1/20 0.35
INSR P06213 1/20 0.33
ALK Q9UM73 1/20 0.33
CHEK1 O14757 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL858963 0.94 GPR142 (0.36) GPR142PIK3CACYP2D6INSRALK
SCHEMBL13057044 0.93 GPR142 (0.36) GPR142PIK3CACYP2D6INSRALK
SCHEMBL3804729 0.92 PIK3CG (0.36) GPR142PIK3CACYP2D6INSRALK
SCHEMBL856735 0.89 PIK3CD (0.40) PIK3CA
SCHEMBL6126152 0.87 PIK3CA (0.36) GPR142PIK3CACYP2D6INSRALK
SCHEMBL3803015 0.85 PIK3CA (0.34) GPR142PIK3CACYP2D6
SCHEMBL859175 0.84 PIK3CD (0.35) GPR142PIK3CA
SCHEMBL3760653 0.84 PIK3CA (0.35) GPR142PIK3CACREBBP
SCHEMBL861949 0.83 PIK3CA (0.40) PIK3CA
SCHEMBL858929 0.83 KMT2A (0.38) GPR142PIK3CACYP2D6CREBBP

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-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
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 GPR142 1660/4885PIK3CA 3/4885CYP2D6 746/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA GPR142 2004/4885PIK3CA 3/4885CYP2D6 984/4885

“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.