SCHEMBL6875899

SCHEMBL6875899

COc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C)c5)c4c3c2)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.74
MTOR P42345 6/20 0.57
PIK3CD O00329 1/20 0.57
PIK3C2A O00443 1/20 0.57
PIK3C2B O00750 1/20 0.57
PIK3R1 P27986 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
PRKDC P78527 1/20 0.57
ATM Q13315 1/20 0.57
ATR Q13535 1/20 0.57
RPTOR Q8N122 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
MLST8 Q9BVC4 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
BTK Q06187 5/20 0.51
BLK P51451 4/20 0.51
BMX P51813 4/20 0.51
JAK3 P52333 4/20 0.51

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
SCHEMBL11885757 0.88 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6875919 0.87 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL7919240 0.87 PIK3CA (0.76) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL16730929 0.86 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL15641361 0.86 PIK3CA (0.55) PIK3CAMTOR
SCHEMBL6876012 0.85 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6875458 0.85 PIK3CA (1.00) PIK3CA
SCHEMBL6873699 0.84 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6876326 0.84 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3C2APIK3C2B
SCHEMBL6873677 0.84 PIK3CA (0.84) PIK3CA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-07-05 US disclosed
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS KADMON CORPORATION, LLC 2014-01-16 US disclosed
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-21 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
US-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS MOORMAN NATHANIEL (US) 2012-07-26 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
WO-2011011716-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-01-27 WO disclosed
WO-2010044885-A2 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2010-04-22 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 (5 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-20120190676-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885PIK3CD 459/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885PIK3CD 24/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885PIK3CD 459/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885PIK3CD 459/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885PIK3CD 24/4885

“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.