SCHEMBL8514839

SCHEMBL8514839

CC(O)c1c(Cl)nc(N)nc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.37
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.33
CREBBP Q92793 4/20 0.32
GPR142 Q7Z601 2/20 0.30
CYP2D6 P10635 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL8534182 0.94 PIK3CA (0.36) PIK3CAMTORPRKDCCREBBPPIK3CD
SCHEMBL8515672 0.91 PIK3CA (0.34) PIK3CAMTORPRKDCGPR142
SCHEMBL8513123 0.88 PIK3CA (0.38) PIK3CAMTORPRKDCCREBBPGPR142
SCHEMBL8515444 0.87 PIK3CA (0.35) PIK3CAMTORPRKDCCREBBPPIK3CD
SCHEMBL16476892 0.87 PIK3CA (0.30) PIK3CAMTOR
SCHEMBL8533677 0.87 PIK3CA (0.37) PIK3CAMTORPRKDCCREBBPGPR142
SCHEMBL8530135 0.86 PIK3CA (0.36) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL8586828 0.86 PIK3CA (0.38) PIK3CAMTORPRKDCCREBBPGPR142
SCHEMBL15409687 0.86 PIK3CA (0.34) PIK3CAMTORPRKDC
SCHEMBL15407411 0.86 PIK3CA (0.36) PIK3CAMTORPRKDCCREBBPPIK3CD

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.