SCHEMBL1584750

SCHEMBL1584750

COC(=O)c1ccc(CC(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
P4HTM Q9NXG6 2/20 0.39
DYRK1A Q13627 1/20 0.39
PKM P14618 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
PMP22 Q01453 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23398049 0.86 MAPK1 (0.56) MAPK1PARP1KDM4EL3MBTL1P4HTM
SCHEMBL16417282 0.82 MAPK1 (0.59) MAPK1PARP1KDM4EL3MBTL1P4HTM
SCHEMBL7883731 0.82 MAPK1 (0.62) MAPK1PARP1KDM4EL3MBTL1P4HTM
SCHEMBL28220075 0.81 PARP1 (0.47) PARP1KDM4EL3MBTL1P4HTMPKM
SCHEMBL8324962 0.80 MAPK1 (0.61) MAPK1PARP1KDM4EL3MBTL1P4HTM
SCHEMBL1584427 0.80 P4HTM (0.61) MAPK1KDM4EL3MBTL1P4HTMPKM
SCHEMBL29417119 0.80 MLYCD (0.40) MAPK1KDM4EL3MBTL1P4HTMDYRK1A
SCHEMBL18809992 0.80 MLYCD (0.40) MAPK1KDM4EL3MBTL1P4HTMDYRK1A
SCHEMBL1437036 0.79 MAPK1 (0.59) MAPK1PARP1KDM4EL3MBTL1P4HTM
SCHEMBL2251401 0.79 MAPK1 (0.59) MAPK1PARP1KDM4EL3MBTL1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
EP-3034080-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2016-06-22 EP disclosed
EP-3034080-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2016-06-22 EP disclosed
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
EP-2485736-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
CN-102639135-A Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use SCHERING CORP 2012-08-15 CN disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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 (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-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP MAPK1 3679/4885PARP1 1445/4885KDM4E 3705/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP MAPK1 3584/4885PARP1 1416/4885KDM4E 3588/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP MAPK1 3592/4885PARP1 1295/4885KDM4E 3754/4885
US-20140296222-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 MAPK1 3544/4885PARP1 1089/4885KDM4E 3572/4885

“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.