SCHEMBL9289873

SCHEMBL9289873

CN[C@H](C)c1nc(C)c(C(C)C)c(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.33
PRKDC P78527 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
CREBBP Q92793 2/20 0.30
MTOR P42345 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
SCHEMBL8513875 1.00 PIK3CA (0.33) PIK3CAPRKDCCD274CREBBPMTOR
SCHEMBL9283608 0.92 PIK3CA (0.34) PIK3CAPRKDCCD274MTOR
SCHEMBL9286881 0.92 PIK3CA (0.34) PIK3CAPRKDCCD274MTOR
SCHEMBL9286805 0.92 PIK3CA (0.31) PIK3CAPRKDCMTOR
SCHEMBL9286808 0.92 PIK3CA (0.31) PIK3CAPRKDCMTOR
SCHEMBL9288187 0.91 PIK3CA (0.32) PIK3CAPRKDCCREBBPMTOR
SCHEMBL9286771 0.91 PIK3CA (0.32) PIK3CAPRKDCCREBBPMTOR
SCHEMBL8538028 0.90 PIK3CA (0.33) PIK3CAPRKDCMTOR
SCHEMBL8611745 0.90 PIK3CA (0.33) PIK3CAPRKDCMTOR
SCHEMBL15408221 0.90 PIK3CA (0.33) PIK3CAPRKDCCREBBPMTOR

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 3 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
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 135/4885PRKDC 4070/4885CD274 3868/4885

“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.