SCHEMBL8510993

SCHEMBL8510993

CC(C)c1cnc(N)nc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.36
MTOR P42345 3/20 0.33
PRKDC P78527 1/20 0.32
ALOX5AP P20292 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIK3CB P42338 4/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CG P48736 3/20 0.31
CREBBP Q92793 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
FTO Q9C0B1 1/20 0.31
SYK P43405 1/20 0.30
MAP3K9 P80192 1/20 0.30
GBA1 P04062 1/20 0.30
CLK1 P49759 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
SCHEMBL15408313 0.90 PIK3CA (0.37) PIK3CAMTORPRKDCALOX5APCD274
SCHEMBL8515444 0.88 PIK3CA (0.35) PIK3CAMTORPRKDCCD274MAPT
SCHEMBL8533677 0.88 PIK3CA (0.37) PIK3CAMTORPRKDCALOX5APCD274
SCHEMBL15407773 0.87 PIK3CA (0.36) PIK3CAMTORPRKDCALOX5APCD274
SCHEMBL8534182 0.87 PIK3CA (0.36) PIK3CAMTORPRKDCPIK3CBPIK3CD
SCHEMBL15409687 0.87 PIK3CA (0.34) PIK3CAMTORPRKDC
SCHEMBL8512265 0.86 PIK3CA (0.35) PIK3CAMTORPRKDCALOX5APMAPT
SCHEMBL8511448 0.86 PIK3CA (0.36) PIK3CAMTORPRKDCMAPTRAB9A
SCHEMBL16461304 0.86 PIK3CA (0.32) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL15406029 0.86 PIK3CA (0.38) PIK3CAMTORPRKDCALOX5APPIK3CB

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.