SCHEMBL17677805

SCHEMBL17677805

CNC1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
MTOR P42345 20/20 1.00
PIK3R1 P27986 1/20 1.00
PIK3CG P48736 15/20 0.78
PIK3CB P42338 2/20 0.78
PIK3CD O00329 1/20 0.78
PIK3C2B O00750 1/20 0.78
PIK3C3 Q8NEB9 1/20 0.78

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
SCHEMBL10102585 0.90 PIK3CA (0.82) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL32187 0.89 PIK3CA (0.86) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL22193415 0.88 PIK3CA (0.82) PIK3CAMTORPIK3R1PIK3CGPIK3CB
Gedatolisib SCHEMBL32393 0.88 MTOR (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CB
Gedatolisib SCHEMBL20765097 0.88 MTOR (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL32568 0.87 PIK3CA (0.93) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL32186 0.86 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL32259 0.86 PIK3CA (0.81) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL26835992 0.86 PIK3CA (0.82) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL32299 0.86 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233054-B1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER (US) 2021-06-30 EP disclosed
US-10660959-B2 Formulations of a PI3K/mTOR-inhibitor for intravenous administration PFIZER INC. (US) 2020-05-26 US disclosed
US-20190105390-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER INC. (US) 2019-04-11 US disclosed
US-10172942-B2 Formulations of a PI3K/mTor-inhibitor for intravenous administration PFIZER INC. (US) 2019-01-08 US disclosed
US-20170360935-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER INC. (US) 2017-12-21 US disclosed
US-20170360935-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016097949-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION PFIZER INC. (US) 2016-06-23 WO disclosed
WO-2016055907-A1 SYNERGISTIC AURISTATIN COMBINATIONS PFIZER INC. (US) 2016-04-14 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 (4 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-10660959-B2 Formulations of a PI3K/mTOR-inhibitor for intravenous administration MTOR, RICTOR, PIK3CD PIK3CA 4/4885MTOR 1/4885PIK3R1 6/4885
US-20170360935-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION MTOR, RICTOR, PIK3CD PIK3CA 4/4885MTOR 1/4885PIK3R1 6/4885
US-20190105390-A1 FORMULATIONS OF A PI3K/MTOR-INHIBITOR FOR INTRAVENOUS ADMINISTRATION MTOR, RICTOR, PIK3CD PIK3CA 4/4885MTOR 1/4885PIK3R1 6/4885
US-10172942-B2 Formulations of a PI3K/mTor-inhibitor for intravenous administration MTOR, RICTOR, PIK3CD PIK3CA 4/4885MTOR 1/4885PIK3R1 6/4885

“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.