SCHEMBL15052308

SCHEMBL15052308

Cc1cc(Br)cnc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
MET P08581 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL29026409 0.86 AAK1 (0.36) AAK1S1PR1S1PR3RXRAGRIN1
SCHEMBL1180451 0.83 AAK1 (0.41) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL17248014 0.81 NOS3 (0.42) RXRAGRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL21585391 0.79 AGBL2 (0.39) HCRTR1HCRTR2GAAPIK3CA
SCHEMBL29560389 0.79 RXRA (0.34) RXRAGRIN1GRIN2BGAANPC1
SCHEMBL22866537 0.79 RXRA (0.34) RXRAGRIN1GRIN2BGAANPC1
SCHEMBL16648664 0.79 RXRA (0.34) RXRAGRIN1GRIN2BGAANPC1
SCHEMBL30900386 0.79 HTT (0.32) NPC1HTTKMT2ARAB9A
SCHEMBL16858570 0.78 PLAU (0.39) S1PR1S1PR3HCRTR1HCRTR2SMN1; SMN2
SCHEMBL27042313 0.78 HCRTR1 (0.34) HCRTR1HCRTR2GAAALDH1A1PIK3CA

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 21 patents — showing the first 20. 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-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 US disclosed
US-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 US disclosed
US-20150148377-A1 Quinoline Derivatives NOVARTIS AG (CH) 2015-05-28 US disclosed
EP-2794594-A1 QUINOLINE 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-2013093850-A1 QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2013-06-27 WO disclosed
WO-2013093850-A1 QUINOLINE 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 (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-20130165436-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD AAK1 2048/4885S1PR1 1529/4885S1PR3 1912/4885
US-20150148377-A1 Quinoline Derivatives RECQL, NQO2, PIK3R3 AAK1 2639/4885S1PR1 3024/4885S1PR3 2535/4885
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD AAK1 2048/4885S1PR1 1529/4885S1PR3 1912/4885

“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.