SCHEMBL27429026

SCHEMBL27429026

CCCC(=O)CCC(=O)N1CCC(C(=O)N2CCN(c3nc(N)nc(-c4cnc(N)nc4C(F)F)n3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.55
MTOR P42345 12/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
RICTOR Q6R327 6/20 0.46
MAPKAP1 Q9BPZ7 6/20 0.46
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
BRAF P15056 1/20 0.34
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL27430904 0.93 PIK3CA (0.64) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429044 0.89 PIK3CA (0.48) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429025 0.88 PIK3CA (0.55) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429021 0.88 PIK3CA (0.55) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27429029 0.85 PIK3CA (0.54) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27428902 0.83 PIK3CA (0.58) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27431002 0.82 PIK3CA (0.57) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27428898 0.82 PIK3CA (0.57) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27428814 0.81 PIK3CA (0.63) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL27431842 0.81 PIK3CA (0.70) 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.