SCHEMBL27428913

SCHEMBL27428913

CN(C)C/C=C/C(=O)N1CCC(CN2CCN(c3nc(N)nc(-c4cnc(N)nc4C(F)F)n3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.53
MTOR P42345 10/20 0.44
RICTOR Q6R327 6/20 0.44
RPTOR Q8N122 6/20 0.44
MAPKAP1 Q9BPZ7 6/20 0.44
MLST8 Q9BVC4 6/20 0.44
BTK Q06187 4/20 0.39
PIK3R1 P27986 2/20 0.36
BRAF P15056 1/20 0.36
JAK3 P52333 2/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34

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
SCHEMBL27430528 0.93 PIK3CA (0.62) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428908 0.87 PIK3CA (0.62) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428994 0.85 PIK3CA (0.74) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428930 0.84 PIK3CA (0.67) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429003 0.84 PIK3CA (0.64) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428978 0.83 PIK3CA (0.61) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429042 0.83 PIK3CA (0.49) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428905 0.83 PIK3CA (0.69) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429044 0.81 PIK3CA (0.48) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428922 0.81 PIK3CA (0.56) PIK3CAMTORRICTORRPTORMAPKAP1

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 61/4885RICTOR 475/4885

“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.