SCHEMBL1935667

SCHEMBL1935667

COCCOc1cnc(C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
BACE1 P56817 9/20 0.42
HCAR2 Q8TDS4 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 1/20 0.38
MAPT P10636 1/20 0.37
ACACB O00763 1/20 0.36
NAMPT P43490 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL19645365 0.88 SIRT6 (0.67) SIRT6BACE1ACACB
SCHEMBL10328670 0.84 SIRT6 (0.47) SIRT6BACE1HCAR2KDM4EMAPK1
SCHEMBL1934141 0.83 TSHR (0.45) SIRT6BACE1KDM4EL3MBTL1
SCHEMBL14903882 0.83 BACE1 (0.45) SIRT6BACE1KDM4EL3MBTL1MAPT
SCHEMBL12557562 0.82 SIRT6 (0.42) SIRT6BACE1ACACBNAMPT
SCHEMBL2108443 0.81 SIRT6 (0.43) SIRT6BACE1HCAR2KDM4EMAPK1
SCHEMBL991588 0.80 MAPT (0.56) SIRT6HCAR2KDM4EMAPK1L3MBTL1
SCHEMBL7941192 0.80 SIRT6 (0.44) SIRT6BACE1HCAR2KDM4EMAPK1
SCHEMBL6819314 0.80 TSHR (0.47) SIRT6KDM4EL3MBTL1MAPT
SCHEMBL10329868 0.80 RARB (0.49) SIRT6BACE1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 US claimed
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP 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-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
EP-3233834-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2019-11-13 EP disclosed
US-10106524-B2 2,3,4,5-tetrahydropyridin-6-amine and 3,4-dihydro-2H-pyrrol-5-amine compound inhibitors of beta-secretase JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
EP-3233834-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2017-10-25 EP disclosed
EP-3010925-B1 BACE INHIBITORS LILLY CO ELI (US) 2017-10-04 EP disclosed
EP-3010925-B1 BACE INHIBITORS LILLY CO ELI (US) 2017-10-04 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 WO disclosed
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP SIRT6 2728/4885BACE1 1/4885HCAR2 1955/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP SIRT6 1476/4885BACE1 2/4885HCAR2 1261/4885
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP SIRT6 2406/4885BACE1 1/4885HCAR2 3400/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 SIRT6 185/4885BACE1 2029/4885HCAR2 2591/4885
US-10106524-B2 2,3,4,5-tetrahydropyridin-6-amine and 3,4-dihydro-2H-pyrrol-5-amine compound inhibitors of beta-secretase BACE1, BACE2, APP SIRT6 2406/4885BACE1 1/4885HCAR2 3400/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C SIRT6 1402/4885BACE1 69/4885HCAR2 640/4885

“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.