SCHEMBL362114

SCHEMBL362114

Cc1cc(OC(F)F)cnc1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNH2 Q12809 2/20 0.37
MBOAT4 Q96T53 1/20 0.31
PIK3CD O00329 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PIK3CA P42336 1/20 0.31
RECQL P46063 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
TRPA1 O75762 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
SCHEMBL28757822 0.85 CYP11B1 (0.40) PIK3CDCYP11B1CYP11B2LMNA
SCHEMBL18036193 0.81 EGLN2 (0.36) ADORA2AADORA1KCNH2PIK3CDCYP11B1
SCHEMBL362452 0.80 SLC22A12 (0.38) KCNH2PIK3CDLMNAHTTSMN1; SMN2
SCHEMBL30976940 0.80 PIK3CD (0.47) ADORA2AADORA1KCNH2MBOAT4PIK3CD
SCHEMBL10325263 0.79 HPGDS (0.39) PIK3CDCYP11B1CYP11B2RECQLLMNA
SCHEMBL361785 0.78 PIK3CD (0.32) PIK3CDCYP11B1CYP11B2
SCHEMBL24588076 0.77 MBOAT4 (0.36) KCNH2MBOAT4PIK3CALMNARXRA
SCHEMBL16461718 0.75 CYP11B1 (0.42) MBOAT4CYP11B1CYP11B2RXRAGRIN1
SCHEMBL2135282 0.74 ALDH1A1 (0.39) KCNH2MBOAT4SMN1; SMN2
SCHEMBL15201659 0.74 PIK3CA (0.32) KCNH2PIK3CALMNARXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides PFIZER INC. (US) 2019-04-09 US disclosed
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides PFIZER INC. (US) 2019-04-09 US disclosed
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides PFIZER INC. (US) 2018-10-30 US disclosed
EP-3353174-A1 N-[2-(3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL)-1,3-THIAZOL-4-YL]AMIDES USEFUL AS BACE INHIBITORS Pfizer Inc (US) 2018-08-01 EP disclosed
EP-3353182-A1 TETRAHYDROPYRANO[3,4-D][1,3]OXAZIN DERIVATIVES AND THEIR USE AS BACE INHIBITORS Pfizer Inc (US) 2018-08-01 EP disclosed
EP-3353183-A1 N-[2-(2-AMINO-6,6-DISUBSTITUTED-4, 4A, 5, 6-TETRAHYDROPYRANO [3,4-D][1,3]THIAZIN-8A (8H)-YL) -1, 3-THIAZOL-4-YL]AMIDES Pfizer Inc (US) 2018-08-01 EP disclosed
US-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2018-07-24 US disclosed
US-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2018-07-24 US disclosed
US-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides PFIZER INC. (US) 2018-07-24 US disclosed
US-20170369506-A1 N-(2-(2-AMINO-6-SUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]OXAZIN-8a(8H)-YL)-THIAZOL-4-YL) AMIDES PFIZER INC. (US) 2017-12-28 US 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
WO-2012095463-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL 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
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO disclosed
WO-2011080176-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-07-07 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 (6 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-10028962-B2 2-amino-6-methy1-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides TPMT, TH, MAT1A ADORA2A 443/4885ADORA1 106/4885KCNH2 1728/4885
US-20120172359-A1 Oxazine Derivatives and their Use in the Treatment of Neurological Disorders OTC, GRIK5, GRIN2C ADORA2A 654/4885ADORA1 969/4885KCNH2 879/4885
US-20110021520-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ADORA2A 654/4885ADORA1 969/4885KCNH2 879/4885
US-20170369506-A1 N-(2-(2-AMINO-6-SUBSTITUTED-4,4a,5,6-TETRAHYDROPYRANO[3,4-d][1,3]OXAZIN-8a(8H)-YL)-THIAZOL-4-YL) AMIDES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, NPY4R ADORA2A 232/4885ADORA1 99/4885KCNH2 1421/4885
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R ADORA2A 471/4885ADORA1 142/4885KCNH2 1757/4885
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, NPY4R ADORA2A 232/4885ADORA1 99/4885KCNH2 1421/4885

“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.