SCHEMBL6875461

SCHEMBL6875461

CC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc2C(F)(F)F)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.78
PIK3CA P42336 6/20 0.71
PIK3CD O00329 1/20 0.66
PIK3C2A O00443 1/20 0.66
PIK3C2B O00750 1/20 0.66
PIK3R1 P27986 1/20 0.66
PIK3CG P48736 1/20 0.66
PRKDC P78527 1/20 0.66
CDC42BPA Q5VT25 1/20 0.66
RICTOR Q6R327 1/20 0.66
RPTOR Q8N122 1/20 0.66
PIK3C3 Q8NEB9 1/20 0.66
MAPKAP1 Q9BPZ7 1/20 0.66
MLST8 Q9BVC4 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
EGFR P00533 1/20 0.57
TEC P42680 1/20 0.57
BLK P51451 1/20 0.57
BMX P51813 1/20 0.57
JAK3 P52333 1/20 0.57

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
SCHEMBL6877957 0.89 MTOR (0.81) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6874996 0.89 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGRPTOR
SCHEMBL20833954 0.87 MTOR (0.77) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6877813 0.87 MTOR (0.77) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL7919237 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL11885770 0.83 PIK3CA (0.62) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6873408 0.83 PIK3CA (1.00) MTORPIK3CAEGFRTECBLK
SCHEMBL7921188 0.82 MTOR (0.90) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL16719263 0.81 MTOR (0.70) MTORPIK3CAPIK3CDPIK3C2APIK3C2B
SCHEMBL6875556 0.81 MTOR (0.85) MTORPIK3CAPIK3CDPIK3C2APIK3C2B

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 15 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-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-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-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-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-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
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 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 36/4885PIK3CD 24/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885PIK3CA 501/4885PIK3CD 459/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 36/4885PIK3CD 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.