Sugi Predict

Sugi Predict / Compounds / SCHEMBL990507

SCHEMBL990507

SCHEMBL990507

O=C(O)c1cnc(C(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.42
▸ NAPRT Q6XQN6 2/20 0.42
▸ ASPH Q12797 2/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ P4HTM Q9NXG6 6/20 0.41
▸ P4HA1 P13674 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BACE1 P56817 5/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL29447044 1.00 KDM4E (0.42) KDM4EHCAR2NAPRTASPHKDM8
SCHEMBL28115935 0.93 SIRT6 (0.47) KDM4EHCAR2NAPRTASPHKDM8
SCHEMBL15352404 0.86 SIRT6 (0.52) KDM4EASPHKDM8SIRT6BACE1
SCHEMBL29447022 0.86 SIRT6 (0.52) KDM4EASPHKDM8SIRT6BACE1
2-Picolinic Acid SCHEMBL28871212 0.85 P4HTM (0.61) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL15360279 0.84 KDM4E (0.39) KDM4EHCAR2NAPRTASPHKDM8
Trifluoroacetic Acid SCHEMBL30088405 0.81 SIRT6 (0.43) KDM4EASPHKDM8SIRT6L3MBTL1
SCHEMBL28287232 0.81 HCAR2 (0.37) KDM4EHCAR2ASPHKDM8ALDH1A1
SCHEMBL1760248 0.79 KDM4E (0.42) KDM4EHCAR2NAPRTASPHKDM8
SCHEMBL70035 0.79 KDM4E (0.59) KDM4EHCAR2NAPRTASPHKDM8

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 362 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
CN-104334554-B It is used as 5 amino [Isosorbide-5-Nitrae] thiazide of BACE1 inhibitor 霍夫曼-拉罗奇有限公司 2017-10-31 — — CN claimed
EP-2841423-B1 METHOD FOR PRODUCING 5-(DIFLUOROMETHYL)PYRAZINE-2-CARBOXILIC ACID AND PRODUCTION INTERMEDIATE THEREOF EISAI R&D MAN CO LTD (JP) 2016-11-30 — — EP claimed
CN-104245680-B Process for producing 5- (difluoromethyl) pyrazine-2-carboxylic acid and production intermediate thereof 卫材R&D管理有限公司 2016-11-23 — — CN claimed
US-9227942-B2 Method for producing 5-(difluoromethyl)pyrazine-2-carboxylic acid and production intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-01-05 — — 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-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 — — 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
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-21 — — US claimed
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 — — WO 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
CN-102666507-A Oxazine derivatives and their use in the treatment of neurological disorders NOVARTIS AG 2012-09-12 — — CN claimed
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 — — 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-2456774-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 — — EP claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 — — CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 — — WO 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 (5 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-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES BACE1, APP, BACE2 KDM4E 1400/4885HCAR2 2106/4885NAPRT 2224/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 KDM4E 2102/4885HCAR2 1071/4885NAPRT 2643/4885
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 KDM4E 619/4885HCAR2 2714/4885NAPRT 1700/4885
US-20150141413-A1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 KDM4E 2171/4885HCAR2 3263/4885NAPRT 1874/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 KDM4E 2102/4885HCAR2 1071/4885NAPRT 2643/4885

“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.