SCHEMBL287558

SCHEMBL287558

O=C(O)c1ccc(OC(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.53
P4HA1 P13674 1/20 0.48
MIF P14174 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALKBH1 Q13686 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TEAD4 Q15561 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2588671 0.84 KMT2A (0.49) KDM4EL3MBTL1ALOX15GFERADAM17
SCHEMBL17668487 0.84 LMNA (0.42) P4HTMALOX15GFERADAM17KMT2A
SCHEMBL5649401 0.82 KMT2A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL711104 0.82 KMT2A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2108310 0.81 MAPK1 (0.56) KDM4EMAPK1L3MBTL1ALOX15GFER
SCHEMBL30640076 0.81 MAPK1 (0.56) KDM4EMAPK1L3MBTL1ALOX15GFER
SCHEMBL7709287 0.80 ABL1 (0.39) P4HTMKDM4EALDH1A1ALKBH1MRGPRX4
SCHEMBL1174077 0.79 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL28025804 0.79 P4HTM (0.47) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL28025807 0.79 P4HTM (0.47) P4HTMP4HA1MIFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP claimed
US-9273042-B2 5-amino[1,4]thiazines as BACE 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2016-03-01 US claimed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 US claimed
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 US claimed
EP-2855469-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 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
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US claimed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 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-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 EP claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed

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-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP P4HTM 958/4885P4HA1 233/4885MIF 2986/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C P4HTM 1546/4885P4HA1 903/4885MIF 2323/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 P4HTM 1832/4885P4HA1 828/4885MIF 1752/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 P4HTM 902/4885P4HA1 448/4885MIF 3795/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885

“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.