SCHEMBL8514620

SCHEMBL8514620

CNCc1nc(C)c(C(C)C)c(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.33
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
PRKDC P78527 1/20 0.31
CREBBP Q92793 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
SCHEMBL15408352 0.92 PIK3CA (0.35) PIK3CAPRKDC
SCHEMBL15408681 0.91 PIK3CA (0.34) PIK3CAPI4KAPI4KBPRKDC
SCHEMBL15407407 0.91 PIK3CA (0.35) PIK3CAPRKDCCREBBP
SCHEMBL3764539 0.91 PIK3CA (0.30) PIK3CA
SCHEMBL3761178 0.90 PIK3CA (0.32) PIK3CAPRKDC
SCHEMBL8589200 0.89 ALDH1A1 (0.33) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15408221 0.89 PIK3CA (0.33) PIK3CAPRKDCCREBBP
SCHEMBL8533677 0.89 PIK3CA (0.37) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL15408538 0.89 PIK3CA (0.32) PIK3CA
SCHEMBL16460519 0.88

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 4 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
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 135/4885PIK3CD 160/4885PIK3CB 265/4885

“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.