SCHEMBL21189457

SCHEMBL21189457

Cc1ncc(-c2ccc3c(-c4ccnnc4)ccnc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 14/20 0.70
PIK3CA P42336 7/20 0.70
MTOR P42345 3/20 0.70
PIK3CD O00329 2/20 0.70
PIK3CB P42338 2/20 0.70
PIK3CG P48736 2/20 0.70
PIK3R1 P27986 1/20 0.70
PRKDC P78527 1/20 0.70
PDE4D Q08499 1/20 0.70
RICTOR Q6R327 1/20 0.70
RPTOR Q8N122 1/20 0.70
PIP4K2C Q8TBX8 1/20 0.70
MAPKAP1 Q9BPZ7 1/20 0.70
MLST8 Q9BVC4 1/20 0.70
IRAK3 Q9Y616 1/20 0.70

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
SCHEMBL20734873 0.89 PIK3CA (0.88) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL730061 0.82 PIK3CA (0.77) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL23620275 0.82 PIK3CA (0.77) PIK3C3PIK3CAMTORPIK3CDPIK3CB
Omipalisib SCHEMBL29352875 0.82 PIK3CA (1.00) PIK3C3PIK3CAMTORPIK3CDPIK3CB
Omipalisib SCHEMBL623194 0.82 PIK3CA (1.00) PIK3C3PIK3CAMTORPIK3CDPIK3CB
Omipalisib SCHEMBL29358168 0.82 PIK3CA (1.00) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL16454210 0.81 PIK3CA (0.83) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL12104970 0.81 PIK3CA (0.64) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL729677 0.78 PIK3CA (0.85) PIK3C3PIK3CAMTORPIK3CDPIK3CB
SCHEMBL12104897 0.77 PIK3CA (0.64) PIK3C3PIK3CAMTORPIK3CDPIK3CB

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 PIK3C3 17/4885PIK3CA 2/4885MTOR 1/4885
US-20190224207-A1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME MTOR, PIK3CA, MAPKAP1 PIK3C3 17/4885PIK3CA 2/4885MTOR 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.