SCHEMBL361012

SCHEMBL361012

COCc1cnc(C#N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 3/20 0.34
GRM5 P41594 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
HPGD P15428 2/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ATM Q13315 1/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1007762 0.88 PDE1B (0.35) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL10314907 0.81 ALDH1A1 (0.41) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL1008889 0.79 POLB (0.42) KDM4EALDH1A1POLBHTTGRM5
SCHEMBL10008673 0.78 MAOB (0.47) KDM4EALDH1A1POLBMAPTNPC1
SCHEMBL335184 0.77 ALDH1A1 (0.41) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL1010296 0.77 KDM4E (0.41) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL16879533 0.77 ALDH1A1 (0.41) KDM4EALDH1A1POLBHTTGAA
SCHEMBL361172 0.77 S1PR4 (0.40) ALDH1A1POLBMAPTGRM5SMN1; SMN2
SCHEMBL22713562 0.77 KDM4E (0.38) KDM4EALDH1A1POLBHPGDCHEK1
SCHEMBL1006358 0.74 MAPT (0.46) KDM4EALDH1A1POLBMAPTNPC1

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-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP disclosed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US disclosed
US-8846658-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US disclosed
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CN) 2014-04-24 US disclosed
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS HOLZER PHILIPP (CH) 2014-03-27 US disclosed
CN-103596569-A BACE-2 inhibitors for the treatment of metabolic disorders NOVARTIS AG 2014-02-19 CN disclosed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP disclosed
US-8338413-B1 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-12-25 US disclosed
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-11-29 US disclosed
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 CN disclosed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2012-07-05 US disclosed
US-8207164-B2 Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2012-06-26 US disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN disclosed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG 2011-01-27 US disclosed
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 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 (7 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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP KDM4E 3316/4885ALDH1A1 2685/4885POLB 1471/4885
US-20120302558-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885
US-20140088084-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885
US-20140113894-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C KDM4E 3548/4885ALDH1A1 508/4885POLB 3085/4885

“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.