SCHEMBL991875

SCHEMBL991875

CC(C)(C)OC(=O)c1cnc(C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA1 P14867 12/20 0.42
GABRA2 P47869 12/20 0.42
GABRA5 P31644 12/20 0.42
GABRA3 P34903 11/20 0.42
GABRA6 Q16445 10/20 0.42
GABRA4 P48169 5/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRE P78334 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
ALDH1A1 P00352 1/20 0.37
HPGDS O60760 1/20 0.36
POLB P06746 1/20 0.33
TP53 P04637 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
SCHEMBL992006 0.81 MAPK1 (0.49) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL990534 0.80 ALDH1A1 (0.41) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL990536 0.80 ALDH1A1 (0.41) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL1019178 0.79 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL988761 0.77 POLB (0.54) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29700722 0.77 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL29208228 0.77 GABRG2 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2646157 0.76 SIRT6 (0.52) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645705 0.76 GABRG2 (0.47) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL2645097 0.76 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA2GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
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 disclosed
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 disclosed
US-9221839-B2 C5-C6 oxacyclic-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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 (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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP GABRG2 3042/4885GABRB3 2606/4885GABRA1 3320/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 GABRG2 2227/4885GABRB3 1614/4885GABRA1 2230/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 GABRG2 3531/4885GABRB3 2933/4885GABRA1 3369/4885

“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.