SCHEMBL21189293

SCHEMBL21189293

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(N)cc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.72
MTOR P42345 11/20 0.64
PIK3R1 P27986 3/20 0.64
PIK3CG P48736 6/20 0.59
ATR Q13535 1/20 0.59
AURKB Q96GD4 1/20 0.59
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL29183837 0.88 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL30805549 0.88 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL18660598 0.87 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL29184013 0.86 PIK3CA (0.65) PIK3CAMTORPIK3R1
SCHEMBL1409203 0.86 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL1409215 0.85 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL28606405 0.84 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL28601878 0.83 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL910378 0.82 PIK3CA (0.66) PIK3CAMTORPIK3R1
SCHEMBL1409540 0.82 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CGATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777042-B Triazine hydroxamic acid derivative and preparation method and application thereof 长沙医学院 2025-01-24 CN disclosed
CN-117777042-A Triazine hydroxamic acid derivative and preparation method and application thereof 长沙医学院 2024-03-29 CN disclosed
EP-3481822-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2022-06-22 EP disclosed
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 PIK3CA 2/4885MTOR 1/4885PIK3R1 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 PIK3CA 2/4885MTOR 1/4885PIK3R1 7/4885

“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.