SCHEMBL30747459

SCHEMBL30747459

CNc1cc(F)cc(F)c1NC(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.37
CTSS P25774 5/20 0.36
CTSK P43235 4/20 0.36
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 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
SCHEMBL26649552 0.84 PKM (0.33) LMNA
SCHEMBL26426334 0.83 CYP17A1 (0.38) AAK1CTSSCTSKLMNAPOLB
SCHEMBL30418571 0.83 CYP17A1 (0.38) AAK1CTSSCTSKLMNAPOLB
SCHEMBL12264156 0.74 GLS (0.37) AAK1CTSSCTSKTRPA1CA1
SCHEMBL30380150 0.70 ATR (0.40) LMNAPOLBCA1CA2
SCHEMBL26426350 0.70 ATR (0.40) LMNAPOLBCA1CA2
SCHEMBL8347768 0.70 LMNA (0.47) AAK1LMNAPOLBGABRB1GABRB2
SCHEMBL14206949 0.70 GLS (0.39) AAK1CTSSCTSKTRPA1CA1
SCHEMBL13497768 0.70 GLS (0.39) AAK1CTSSCTSKTRPA1CA1
SCHEMBL21272233 0.69 MAPT (0.40) AAK1CTSSCTSKLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2026-02-05 US disclosed
US-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-10-09 US disclosed
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO 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 (2 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-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD AAK1 792/4885CTSS 2069/4885CTSK 1563/4885
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CD, PIK3CG, PIK3CB AAK1 481/4885CTSS 3841/4885CTSK 3683/4885

“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.