SCHEMBL15052607

SCHEMBL15052607

CCOC(=O)c1ncn(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SYK P43405 1/20 0.36
GABRG2 P18507 8/20 0.35
GABRB3 P28472 8/20 0.35
GABRA5 P31644 8/20 0.35
GABRA2 P47869 8/20 0.35
GABRA1 P14867 7/20 0.35
GABRA3 P34903 7/20 0.35
GABRA6 Q16445 5/20 0.34
GABRB2 P47870 4/20 0.34
GABRA4 P48169 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 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
SCHEMBL19374743 0.89 MAPT (0.34) ALDH1A1MAPTAPOBEC3AAPOBEC3GNFKB1
SCHEMBL34473101 0.77 GABRG2 (0.40) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL34472920 0.76 GABRG2 (0.39) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL4735920 0.74 CYP3A4 (0.41) ALDH1A1MAPTSYKMEN1CYP1A2
SCHEMBL34472556 0.74 GABRG2 (0.38) ALDH1A1GABRG2GABRB3GABRA5GABRA2
SCHEMBL34474024 0.73 GABRG2 (0.38) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL34473068 0.73 GABRG2 (0.38) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL34472621 0.73 GABRG2 (0.37) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL34472710 0.73 GABRG2 (0.37) ALDH1A1MAPTGABRG2GABRB3GABRA5
SCHEMBL29624993 0.73 SYK (0.34) ALDH1A1NFKB1NFKB2RELASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 EP disclosed
EP-2794600-B1 2,3-Dihydro-benzo[1,4]oxazine derivatives and related compounds as phosphoinositide-3 kinase (PI3K) inhibitors for the treatment of e.g. rheumatoid arthritis NOVARTIS AG (CH) 2017-12-06 EP disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
US-9539260-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-01-10 US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-2794600-A1 DIHYDRO-BENZO-OXAZINE AND DIHYDRO-PYRIDO-OXAZINE DERIVATIVES Novartis AG (CH) 2014-10-29 EP disclosed
WO-2013093849-A1 DIHYDRO-BENZO-OXAZINE AND DIHYDRO-PYRIDO-OXAZINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 WO disclosed
WO-2013093849-A1 DIHYDRO-BENZO-OXAZINE AND DIHYDRO-PYRIDO-OXAZINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 WO disclosed
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2013-06-27 US disclosed
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2013-06-27 US disclosed
US-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2013-06-27 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 (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-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD ALDH1A1 692/4885MAPT 1546/4885APOBEC3A 4684/4885
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD ALDH1A1 692/4885MAPT 1546/4885APOBEC3A 4684/4885

“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.