SCHEMBL7926734

SCHEMBL7926734

Cc1ccc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BMX P51813 7/20 0.64
BTK Q06187 7/20 0.64
MTOR P42345 6/20 0.64
BLK P51451 6/20 0.64
JAK3 P52333 6/20 0.64
NR2C2 P49116 1/20 0.64
CLK1 P49759 1/20 0.64
CLK2 P49760 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
TEC P42680 1/20 0.54
PIK3CA P42336 8/20 0.53
DYRK1A Q13627 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
SCHEMBL11885777 0.87 PIK3CA (0.50) BMXBTKMTORBLKJAK3
SCHEMBL11885778 0.86 PIK3CA (0.56) BMXBTKMTORBLKJAK3
SCHEMBL29453617 0.86 PIK3CA (0.53) BMXBTKMTORBLKJAK3
SCHEMBL6874539 0.86 PIK3CA (0.56) BMXBTKMTORBLKJAK3
SCHEMBL6874534 0.85 PIK3CA (0.72) BMXBTKMTORBLKJAK3
SCHEMBL7922817 0.85 MTOR (0.64) BMXBTKMTORBLKJAK3
SCHEMBL6876654 0.84 PIK3CA (0.72) BMXBTKMTORBLKJAK3
SCHEMBL6873707 0.84 PIK3CA (0.73) BMXBTKMTORBLKJAK3
SCHEMBL29453596 0.83 PIK3CA (0.56) BMXBTKMTORBLKJAK3
SCHEMBL22748509 0.83 PIK3CA (0.53) BMXBTKMTORBLKJAK3

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 10 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-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-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 (3 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-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR BMX 1963/4885BTK 755/4885MTOR 1/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 BMX 1318/4885BTK 1515/4885MTOR 2/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR BMX 1963/4885BTK 755/4885MTOR 1/4885

“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.