SCHEMBL7925892

SCHEMBL7925892

Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(F)c5)c4c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 1.00
MTOR P42345 2/20 0.63
BLK P51451 2/20 0.63
BMX P51813 2/20 0.63
JAK3 P52333 2/20 0.63
BTK Q06187 2/20 0.63
EGFR P00533 1/20 0.61
TEC P42680 1/20 0.61

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
SCHEMBL11885753 0.92 PIK3CA (1.00) PIK3CAMTORBLKBMXJAK3
SCHEMBL7919254 0.92 PIK3CA (1.00) PIK3CAMTORBLKBMXJAK3
SCHEMBL7919887 0.91 PIK3CA (0.83) PIK3CAMTORBLKBMXJAK3
SCHEMBL6874135 0.90 PIK3CA (0.82) PIK3CAMTORBLKBMXJAK3
SCHEMBL6873408 0.90 PIK3CA (1.00) PIK3CAMTORBLKBMXJAK3
SCHEMBL7911939 0.88 PIK3CA (0.79) PIK3CAMTORBLKBMXJAK3
SCHEMBL6875419 0.87 PIK3CA (0.84) PIK3CAMTORBLKBMXJAK3
SCHEMBL11885763 0.86 PIK3CA (0.75) PIK3CAMTORBLKBMXJAK3
SCHEMBL11885775 0.85 PIK3CA (0.75) PIK3CAMTORBLKBMXJAK3
SCHEMBL6874546 0.85 PIK3CA (0.77) PIK3CAMTORBLKBMXJAK3

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 PIK3CA 501/4885MTOR 2/4885BLK 1195/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885BLK 1714/4885
US-20180185374-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885BLK 1195/4885
US-20140018354-A9 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS EIF2AK2, MTOR, EIF4EBP1 PIK3CA 501/4885MTOR 2/4885BLK 1195/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR PIK3CA 36/4885MTOR 1/4885BLK 1714/4885

“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.