SCHEMBL8588486

SCHEMBL8588486

Nc1nc2cc(-c3ccc4c(c3)CN(c3ncc(C(F)(F)F)c(N)n3)CCO4)cnc2s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.38
MTOR P42345 4/20 0.38
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ULK1 O75385 1/20 0.33
SCD O00767 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL15406029 0.87 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CBPI4KA
SCHEMBL16460524 0.85 MTOR (0.34) PIK3CAMTORSCD
SCHEMBL8510282 0.85 PIK3CA (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8533147 0.80 PIK3CA (0.37) PIK3CAMTORPRKDC
SCHEMBL15407773 0.80 PIK3CA (0.36) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8586187 0.79 DYRK1A (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8636847 0.78 PIK3CA (0.38) PIK3CAMTORPRKDC
SCHEMBL15406939 0.78 PIK3CA (0.37) PIK3CAMTORPIK3CDPIK3CBPI4KA
SCHEMBL15406874 0.78 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CBPI4KA
SCHEMBL8534964 0.78 MAPT (0.42) PIK3CAMTORPRKDC

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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR PIK3CA 135/4885MTOR 1/4885PIK3CD 160/4885

“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.