SCHEMBL27429044

SCHEMBL27429044

CCCC(=O)CCC(=O)N1CCC(CN2CCN(c3nc(N)nc(-c4cnc(N)nc4C(F)F)n3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.48
MTOR P42345 14/20 0.45
RPTOR Q8N122 7/20 0.45
MLST8 Q9BVC4 7/20 0.45
RICTOR Q6R327 6/20 0.45
MAPKAP1 Q9BPZ7 6/20 0.45
PIK3R1 P27986 3/20 0.35
BRAF P15056 1/20 0.33
PIK3CD O00329 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PIK3C2B O00750 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL27431002 0.93 PIK3CA (0.57) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429026 0.89 PIK3CA (0.55) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429041 0.88 PIK3CA (0.49) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429042 0.88 PIK3CA (0.49) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429052 0.87 PIK3CA (0.47) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429055 0.85 PIK3CA (0.48) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27428908 0.83 PIK3CA (0.62) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27430904 0.82 PIK3CA (0.64) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27430984 0.81 PIK3CA (0.57) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27428913 0.81 PIK3CA (0.53) PIK3CAMTORRPTORMLST8RICTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217960-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K UNIVERSITÄT BASEL (CH) 2024-07-04 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 (1 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-20240217960-A1 TRIAZINE DERIVATIVE AS COVALENT INHIBITORS OF PI3K PIK3R5, PIK3R1, PIK3R2 PIK3CA 12/4885MTOR 61/4885RPTOR 446/4885

“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.