SCHEMBL27429003

SCHEMBL27429003

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.64
MTOR P42345 10/20 0.41
RICTOR Q6R327 6/20 0.41
RPTOR Q8N122 6/20 0.41
MAPKAP1 Q9BPZ7 6/20 0.41
MLST8 Q9BVC4 6/20 0.41
PIK3R1 P27986 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
BRAF P15056 1/20 0.33
BTK Q06187 2/20 0.32
TXK P42681 1/20 0.32
ITK Q08881 1/20 0.32
CDK7 P50613 3/20 0.31
CCNH P51946 3/20 0.31
MNAT1 P51948 3/20 0.31
CCNK O75909 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CDK12 Q9NYV4 2/20 0.31

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
SCHEMBL27429009 0.96 PIK3CA (0.63) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27430824 0.94 PIK3CA (0.74) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428994 0.93 PIK3CA (0.74) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27430845 0.90 PIK3CA (0.72) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428978 0.88 PIK3CA (0.61) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27430795 0.87 PIK3CA (0.85) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428999 0.85 PIK3CA (0.87) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL30984479 0.85 PIK3CA (0.87) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428913 0.84 PIK3CA (0.53) PIK3CAMTORRICTORRPTORMAPKAP1
SCHEMBL27428905 0.83 PIK3CA (0.69) 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.