SCHEMBL27429424

SCHEMBL27429424

CN(CC(=O)N1CCN(c2nc(-c3cnc(N)nc3C(F)F)nc(N3CCOCC3)n2)CC1)C(=O)C1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.80
MTOR P42345 15/20 0.57
RICTOR Q6R327 6/20 0.57
RPTOR Q8N122 6/20 0.57
MAPKAP1 Q9BPZ7 6/20 0.57
MLST8 Q9BVC4 6/20 0.57
PIK3R1 P27986 3/20 0.45
PIK3CD O00329 3/20 0.45
PIK3CB P42338 3/20 0.45
BRAF P15056 1/20 0.41
PIK3C2B O00750 1/20 0.41
PIK3CG P48736 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
Hydrochloric Acid SCHEMBL29924203 0.99 PIK3CA (0.79) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL27086639 0.99 PIK3CA (0.79) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL27086867 0.92 PIK3CA (0.77) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL29921613 0.92 PIK3CA (0.77) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL30984501 0.91 PIK3CA (0.85) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL29921393 0.91 PIK3CA (0.73) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL27086784 0.91 PIK3CA (0.73) PIK3CAMTORRICTORRPTORMAPKAP1
Hydrochloric Acid SCHEMBL27086793 0.91 PIK3CA (0.73) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27086719 0.89 PIK3CA (1.00) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27429158 0.88 PIK3CA (0.83) 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.