SCHEMBL20734873

SCHEMBL20734873

COc1ncc(-c2ccc3c(-c4ccnnc4)ccnc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.88
MTOR P42345 8/20 0.88
PIK3CD O00329 3/20 0.88
PIK3CB P42338 3/20 0.88
PIK3CG P48736 3/20 0.88
PIK3R1 P27986 1/20 0.88
PRKDC P78527 1/20 0.88
PDE4D Q08499 1/20 0.88
RICTOR Q6R327 1/20 0.88
RPTOR Q8N122 1/20 0.88
PIK3C3 Q8NEB9 1/20 0.88
PIP4K2C Q8TBX8 1/20 0.88
MAPKAP1 Q9BPZ7 1/20 0.88
MLST8 Q9BVC4 1/20 0.88
IRAK3 Q9Y616 1/20 0.88

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
Omipalisib SCHEMBL29352875 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL623194 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL29358168 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL21189457 0.89 PIK3C3 (0.70) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL741445 0.85 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31299748 0.84 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16454210 0.84 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL23121496 0.83 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060446 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25495105 0.83 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-26 US disclosed
US-20200360386-A1 Inhibitors of HSP90, PI3-Kinase, Proteasome, HDAC, and P97 Pathways for Selective Removal of Senescent Cells in the Treatment of Age Related Conditions UNITY BIOTECHNOLOGY, INC. 2020-11-19 US disclosed
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
WO-2019032640-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-14 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-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds MTOR, JAK2, JAK1 PIK3CA 14/4885MTOR 1/4885PIK3CD 32/4885
US-20200360386-A1 Inhibitors of HSP90, PI3-Kinase, Proteasome, HDAC, and P97 Pathways for Selective Removal of Senescent Cells in the Treatment of Age Related Conditions HSP90AB1, HSP90AB2P, HSP90AA1 PIK3CA 156/4885MTOR 16/4885PIK3CD 340/4885
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS MTOR, JAK2, JAK1 PIK3CA 14/4885MTOR 1/4885PIK3CD 32/4885

“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.