SCHEMBL4171974

SCHEMBL4171974

Brc1cncc(-c2nnco2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ NOTUM Q6P988 13/20 0.46
▸ PTK2 Q05397 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40

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
SCHEMBL13778386 0.78 NOTUM (0.56) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL12901577 0.78 NOTUM (0.46) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL30460468 0.78 NOTUM (0.59) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL1016310 0.74 NOTUM (0.64) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL31417991 0.74 NOTUM (0.42) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL12923857 0.74 NOTUM (0.62) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL13466849 0.73 NOTUM (0.57) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL1194538 0.72 NOTUM (0.64) TSHRNOTUMMAPTALDH1A1HPGD
SCHEMBL14392676 0.72 CYP2A6 (0.61) PTK2KDM4ECYP2A6
SCHEMBL29077224 0.71 NOTUM (0.44) TSHRNOTUMMAPTALDH1A1HPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961749-B1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2019-10-09 — — EP disclosed
EP-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 — — EP disclosed
EP-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 — — EP disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-9296734-B2 Perfluorinated 5,6-dihydro-4H-1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2016-03-29 — — US disclosed
EP-2961749-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2016-01-06 — — EP disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — US disclosed
WO-2014134341-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2014-09-04 — — WO disclosed
US-20140249104-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. 2014-09-04 — — US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 — — US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 — — US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
WO-2012139425-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE SCHERING CORPORATION (US) 2012-10-18 — — WO disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US 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 (4 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-20140249104-A1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP TSHR 1509/4885NOTUM 48/4885PTK2 2815/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TSHR 122/4885NOTUM 3404/4885PTK2 1003/4885
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, PSEN1 TSHR 4687/4885NOTUM 568/4885PTK2 2173/4885
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP TSHR 3481/4885NOTUM 1404/4885PTK2 2519/4885

“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.

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