SCHEMBL669390

SCHEMBL669390

CC(C)(C)OC(=O)n1ccc2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
ABL1 P00519 2/20 0.46
EGFR P00533 2/20 0.46
HCK P08631 2/20 0.46
SRC P12931 2/20 0.46
KDR P35968 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
EPHB4 P54760 2/20 0.46
PRKDC P78527 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
BUB1 O43683 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL18788892 0.88 GABRG2 (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.84 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.84 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL819797 0.82 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL29829168 0.82 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL18805035 0.82 PIK3CD (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL265019 0.82 PIK3CA (0.46) PIK3CDABL1EGFRHCKSRC
SCHEMBL312329 0.82 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
Methane SCHEMBL6390810 0.82 HTR6 (0.48) PIK3CDABL1EGFRHCKSRC
SCHEMBL2006239 0.82 OXER1 (0.50) PIK3CDABL1EGFRHCKSRC

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057803-A S- (methyl-d) 3 ) Synthetic method and application of phenylether substances 杭州师范大学 2022-09-16 CN claimed
EP-4140974-B1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LTD (CN) 2025-05-14 EP disclosed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
US-12098126-B2 Methods of iron catalyzed C-H bond amination VERSITECH LIMITED (CN) 2024-09-24 US disclosed
CN-115057803-B S- (methyl-d) 3 ) Synthesis method and application of phenyl sulfide substance 杭州师范大学 2023-11-24 CN disclosed
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
EP-4166531-A1 PROCESS FOR PREPARING A PHENOLIC HYDROCARBON Studiengesellschaft Kohle mbH (DE) 2023-04-19 EP disclosed
EP-4140974-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION The University of Hong Kong (HK) 2023-03-01 EP disclosed
CN-115710210-A Iron catalyzed amination of C-H bonds 港大科桥有限公司 2023-02-24 CN disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
CN-101163675-A Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO KK (JP) 2008-04-16 CN disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 US disclosed
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 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 (8 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 PIK3CD 1332/4885ABL1 1309/4885EGFR 4781/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 PIK3CD 1332/4885ABL1 1309/4885EGFR 4781/4885
US-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF PIK3CD 1902/4885ABL1 4106/4885EGFR 2719/4885
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 PIK3CD 4159/4885ABL1 325/4885EGFR 1790/4885
US-12098126-B2 Methods of iron catalyzed C-H bond amination FTH1, FECH, HCCS PIK3CD 4465/4885ABL1 343/4885EGFR 3449/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS PIK3CD 4465/4885ABL1 343/4885EGFR 3449/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIK3CD 2670/4885ABL1 92/4885EGFR 2701/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF PIK3CD 1834/4885ABL1 4007/4885EGFR 2740/4885

“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.