SCHEMBL7819946

SCHEMBL7819946

CC1(C)CCc2ncnc(N3CCOc4ccc(-c5cnc6[nH]c(C(F)(F)F)nc6c5)cc4C3)c2C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.34
MTOR P42345 1/20 0.34
KIT P10721 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.31
GPR142 Q7Z601 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
NTRK1 P04629 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
SCHEMBL3768134 0.88 PIK3CA (0.32) PIK3CAMTORKITPIK3CDPIK3CB
SCHEMBL857705 0.88 CREBBP (0.32) PIK3CAMTORKITPIK3CDPIK3CB
Hydrochloric Acid SCHEMBL3758761 0.88 PIK3CA (0.32) PIK3CAMTORKIT
SCHEMBL3758729 0.88 PIK3CA (0.33) PIK3CAMTORKITPIK3CDPIK3CB
SCHEMBL3763282 0.87 KIT (0.36) PIK3CAKITIRAK4PIK3CDPIK3CB
SCHEMBL858728 0.86 PIK3CA (0.33) PIK3CAMTORKITPIK3CDPIK3CB
SCHEMBL3763766 0.86 PIK3CA (0.32) PIK3CAKIT
SCHEMBL858729 0.86 PIK3CA (0.33) PIK3CAMTORKIT
SCHEMBL7819580 0.86 GAK (0.32) PIK3CAKITPIK3CDPIK3CBPIK3CG
SCHEMBL3758825 0.85 PDE10A (0.41) PIK3CAMTORKITPIK3CDPIK3CB

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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER 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 PIK3CA 3/4885MTOR 1/4885KIT 190/4885

“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.