SCHEMBL1543789

SCHEMBL1543789

CC(=O)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 1.00
PIK3CB P42338 8/20 1.00
PIK3CG P48736 8/20 1.00
PIK3CA P42336 17/20 0.79
PIK3CD O00329 6/20 0.78
PRKDC P78527 2/20 0.77
PIK3C3 Q8NEB9 2/20 0.77
AKT1 P31749 3/20 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
SCHEMBL22028121 0.92 PIK3CB (0.85) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL3094883 0.92 PIK3CG (0.85) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL22030451 0.89 PIK3CB (0.82) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1543749 0.88 PIK3CA (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1543320 0.88 PIK3CA (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL21189460 0.87 PIK3CB (0.77) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1543534 0.87 MTOR (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1543560 0.87 PIK3CA (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1543532 0.86 PIK3CA (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD
SCHEMBL1542205 0.85 PIK3CA (1.00) MTORPIK3CBPIK3CGPIK3CAPIK3CD

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-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US claimed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO claimed
US-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-02-16 US disclosed
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 US disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 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-10919877-B2 Multifunctional inhibitors of MEK/PI3K and mTOR/MEK/PI3K biological pathways and therapeutic methods using the same MTOR, PIK3CA, MAPKAP1 MTOR 1/4885PIK3CB 16/4885PIK3CG 12/4885
US-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 MTOR 34/4885PIK3CB 11/4885PIK3CG 7/4885
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME MTOR, PIK3CA, MAPKAP1 MTOR 1/4885PIK3CB 16/4885PIK3CG 12/4885

“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.