SCHEMBL3758005

SCHEMBL3758005

CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc(N)c(S(=O)(=O)NC6CCCN6)c5)cc4C3)c2C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.35
PIK3CA P42336 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PRKDC P78527 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL858371 0.91 KIT (0.39) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL856688 0.90 KIT (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL856652 0.90 KIT (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL15462398 0.90 KIT (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL856439 0.90 KIT (0.39) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL856602 0.90 PIK3C3 (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL856736 0.90 PIK3C3 (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL855906 0.89 KIT (0.37) KITPIK3CAPIK3C3PRKDCLRRK2
SCHEMBL857172 0.88 KIT (0.38) KITPIK3CAPIK3C3PRKDC
SCHEMBL857173 0.88 KIT (0.38) KITPIK3CAPIK3C3PRKDC

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 2 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 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 (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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA KIT 224/4885PIK3CA 3/4885PIK3C3 68/4885

“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.