SCHEMBL8516137

SCHEMBL8516137

COc1cnc(C(=O)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
KMO O15229 1/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PIN1 Q13526 1/20 0.38
CDK9 P50750 2/20 0.38
DYRK1A Q13627 2/20 0.38
TPMT P51580 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
SCHEMBL10324616 0.88 TDP1 (0.38) MAPTTSHRKDM4EHTTKMO
SCHEMBL16711822 0.86 MAPT (0.42) MAPTKDM4EHTTDYRK1AALDH1A1
SCHEMBL2341501 0.84 KDM4E (0.44) MAPTKDM4EHTTCA1CA2
SCHEMBL15922620 0.84 MKNK1 (0.42) MAPTTSHRKDM4EHTTCA1
SCHEMBL14720900 0.83 TDP1 (0.45) MAPTTSHRKDM4EPRKAG1PRKAA1
SCHEMBL2716239 0.81 PRKAB2 (0.47) MAPTKDM4EKMOPRKAG1PRKAA1
SCHEMBL16711905 0.80 GSK3B (0.44) MAPTKDM4EHTTTDP1MEN1
SCHEMBL312811 0.80 TSHR (0.43) MAPTTSHRKDM4EHTTPRKAG1
SCHEMBL30968741 0.80 SMN1; SMN2 (0.45) MAPTTSHRKDM4EHTTTDP1
SCHEMBL29543556 0.80 MAPT (0.43) MAPTTSHRKDM4EPRKAG1PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
CN-102471293-B Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG (CH) 2014-10-01 CN claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN claimed
CN-103429589-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2013-12-04 CN claimed
EP-2663559-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP claimed
US-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2013-10-24 US claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
EP-2961749-B1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2019-10-09 EP disclosed
EP-2961749-B1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2019-10-09 EP disclosed
EP-2964644-B1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2018-12-26 EP disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
CN-1281591-C 4-aminopyridinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-10-25 CN disclosed
CN-1416419-A 4-aminopyridinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2003-05-07 CN 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-20130281449-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders GRIK5, OTC, GRIN2C MAPT 58/4885TSHR 2929/4885KDM4E 3511/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP MAPT 69/4885TSHR 3283/4885KDM4E 3316/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C MAPT 45/4885TSHR 3124/4885KDM4E 3548/4885

“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.