SCHEMBL579295

SCHEMBL579295

CC(C)(C)OC(=O)n1ccc2cc(F)c(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.40
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PIK3R1 P27986 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
BUB1 O43683 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL1035876 0.95 ACLY (0.40) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL19179939 0.89 PIK3CA (0.42) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL30147588 0.89 ACLY (0.43) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL31424162 0.89 ACLY (0.43) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL31338582 0.85 PIK3CA (0.40) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL10445702 0.85 ACLY (0.41) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL25337933 0.84 PIK3CD (0.44) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL1037419 0.84 HSP90AA1 (0.41) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL598041 0.83 ACLY (0.39) ACLYPIK3CAPIK3CDABL1EGFR
SCHEMBL31605148 0.83 TFPI2 (0.40) PIK3CAPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
CN-116249554-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-06-09 CN disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
WO-2022069520-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-04-07 WO disclosed
WO-2016039939-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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 (3 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS ACLY 2965/4885PIK3CA 3947/4885PIK3CD 2508/4885
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ACLY 1188/4885PIK3CA 821/4885PIK3CD 2012/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB ACLY 278/4885PIK3CA 3776/4885PIK3CD 4664/4885

“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.