SCHEMBL21189460

SCHEMBL21189460

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

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 7/20 0.77
MTOR P42345 7/20 0.77
PIK3CG P48736 7/20 0.77
PIK3CD O00329 5/20 0.70
PIK3CA P42336 17/20 0.69
PRKDC P78527 1/20 0.68
PIK3C3 Q8NEB9 1/20 0.68

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
SCHEMBL22026442 0.89 PIK3CB (0.73) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL21189299 0.88 PIK3CB (0.70) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL22030451 0.88 PIK3CB (0.82) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL22028121 0.88 PIK3CB (0.85) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL1543789 0.87 MTOR (1.00) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL1543534 0.83 MTOR (1.00) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL1543749 0.82 PIK3CA (1.00) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL1543320 0.82 PIK3CA (1.00) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL22985780 0.82 PIK3CB (0.70) PIK3CBMTORPIK3CGPIK3CDPIK3CA
SCHEMBL1543560 0.81 PIK3CA (1.00) PIK3CBMTORPIK3CGPIK3CDPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PIK3CB 16/4885MTOR 1/4885PIK3CG 12/4885
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME MTOR, PIK3CA, MAPKAP1 PIK3CB 16/4885MTOR 1/4885PIK3CG 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.