SCHEMBL7912460

SCHEMBL7912460

Cc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.67
BLK P51451 4/20 0.67
BMX P51813 4/20 0.67
JAK3 P52333 4/20 0.67
BTK Q06187 4/20 0.67
MKNK2 Q9HBH9 2/20 0.63
NR2C2 P49116 1/20 0.63
CLK1 P49759 1/20 0.63
CLK2 P49760 1/20 0.63
MKNK1 Q9BUB5 1/20 0.63
PIK3CA P42336 10/20 0.58
DYRK1A Q13627 1/20 0.58
TEC P42680 1/20 0.57
PIK3CD O00329 1/20 0.53
PIK3C2A O00443 1/20 0.53
PIK3C2B O00750 1/20 0.53
PIK3R1 P27986 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PRKDC P78527 1/20 0.53

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
SCHEMBL16730920 0.86 PIK3CA (0.73) MTORBLKBMXJAK3BTK
SCHEMBL11885757 0.85 PIK3CA (0.60) MTORBLKBMXJAK3BTK
SCHEMBL6873707 0.85 PIK3CA (0.73) MTORBLKBMXJAK3BTK
SCHEMBL6876012 0.84 PIK3CA (0.67) MTORBLKBMXJAK3BTK
SCHEMBL6875899 0.83 PIK3CA (0.74) MTORBLKBMXJAK3BTK
SCHEMBL6873699 0.83 PIK3CA (0.75) MTORBLKBMXJAK3BTK
SCHEMBL16730929 0.83 PIK3CA (0.75) MTORBLKBMXJAK3BTK
SCHEMBL6876324 0.83 PIK3CA (0.72) MTORBLKBMXJAK3BTK
SCHEMBL6873420 0.82 PIK3CA (0.73) MTORBLKBMXJAK3BTK
SCHEMBL6873387 0.82 PIK3CA (0.64) MTORBLKBMXJAK3BTK

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-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-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 2/4885BLK 1195/4885BMX 1318/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885BLK 1714/4885BMX 1963/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885BLK 1195/4885BMX 1318/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 MTOR 2/4885BLK 1195/4885BMX 1318/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885BLK 1714/4885BMX 1963/4885

“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.