SCHEMBL6878183

SCHEMBL6878183

COc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)cc5)c4c3c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.68
MTOR P42345 9/20 0.57
BTK Q06187 2/20 0.53
BMX P51813 1/20 0.48
JAK3 P52333 1/20 0.48
PIK3CD O00329 2/20 0.48
CSNK2A2 P19784 1/20 0.48
FECH P22830 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
CLK1 P49759 1/20 0.48
GSK3A P49840 1/20 0.48
DYRK1A Q13627 1/20 0.48
MELK Q14680 1/20 0.48
MYLK3 Q32MK0 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
TP53RK Q96S44 1/20 0.48

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
SCHEMBL7923422 0.92 PIK3CA (0.69) PIK3CAMTORBTKBMXJAK3
SCHEMBL6877963 0.88 MTOR (0.76) PIK3CAMTORPIK3CDCSNK2A2FECH
SCHEMBL11885737 0.88 MTOR (0.59) PIK3CAMTORBTKBMXJAK3
SCHEMBL6876326 0.86 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL6877866 0.84 PIK3CA (0.66) PIK3CAMTORBTKBMXJAK3
SCHEMBL6875919 0.83 PIK3CA (0.84) PIK3CAMTORBTKBMXJAK3
SCHEMBL7920808 0.82 MTOR (0.75) PIK3CAMTORBTKBMXJAK3
SCHEMBL6873677 0.81 PIK3CA (0.84) PIK3CA
SCHEMBL6878167 0.81 PIK3CA (0.62) PIK3CAMTORPIK3CDCSNK2A2FECH
SCHEMBL11887286 0.81 PIK3CA (0.62) PIK3CAMTORPIK3CDCSNK2A2FECH

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 2/4885BTK 1515/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885BTK 755/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885BTK 1515/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885BTK 1515/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885BTK 755/4885

“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.