SCHEMBL8533677

SCHEMBL8533677

Cc1nc(N)nc(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.37
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
CD274 Q9NZQ7 1/20 0.32
CREBBP Q92793 3/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
GPR142 Q7Z601 1/20 0.30
ALOX5AP P20292 1/20 0.30
PI4KA P42356 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL8515444 0.93 PIK3CA (0.35) PIK3CAMTORPRKDCCD274CREBBP
SCHEMBL9283608 0.91 PIK3CA (0.34) PIK3CAMTORPRKDCCD274PIK3CD
SCHEMBL9286881 0.91 PIK3CA (0.34) PIK3CAMTORPRKDCCD274PIK3CD
SCHEMBL8534182 0.91 PIK3CA (0.36) PIK3CAMTORPRKDCCREBBPPIK3CD
SCHEMBL15409687 0.91 PIK3CA (0.34) PIK3CAMTORPRKDC
SCHEMBL8533922 0.91 PIK3CA (0.37) PIK3CAMTORPRKDCCREBBPGPR142
SCHEMBL15408221 0.91 PIK3CA (0.33) PIK3CAMTORPRKDCCREBBP
SCHEMBL15408251 0.91 PIK3CA (0.40) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL8538083 0.90 PIK3CA (0.39) PIK3CAMTORPRKDCCD274CREBBP
SCHEMBL15408681 0.90 PIK3CA (0.34) PIK3CAMTORPRKDCPI4KAPI4KB

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 1/4885PRKDC 4070/4885

“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.