SCHEMBL577947

SCHEMBL577947

CCOC(=O)c1nc(C2CC2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
RCE1 Q9Y256 1/20 0.39
LMNA P02545 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
SCHEMBL21510767 0.94 SMN1; SMN2 (0.47) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL9094106 0.94 SMN1; SMN2 (0.44) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL9261452 0.93 SMN1; SMN2 (0.49) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL15499882 0.93 SMN1; SMN2 (0.49) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL18811612 0.93 SMN1; SMN2 (0.49) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL21063663 0.87 MAPT (0.40) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL16445934 0.86 CDK5 (0.39) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL19067396 0.82 CDK5 (0.37) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL24963293 0.77 ADORA1 (0.50) TMIGD3ADORA1HSD17B10ALOX15MAPT
SCHEMBL108390 0.77 MAPT (0.50) HSD17B10MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112272670-B Di-ring derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-12 CN disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
CN-112272670-A Bicyclic derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-01-26 CN disclosed
WO-2020211798-A1 INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE, AND PREPARATION METHOD AND USES THEREFOR 上海翰森生物医药科技有限公司 2020-10-22 WO disclosed
WO-2020211798-A1 INHIBITOR CONTAINING BICYCLIC RING DERIVATIVE, AND PREPARATION METHOD AND USES THEREFOR 上海翰森生物医药科技有限公司 2020-10-22 WO 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-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
EP-2393493-A1 COMPOUNDS GlaxoSmithKline LLC (US) 2011-12-14 EP disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 WO disclosed
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 WO disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 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 (2 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 TMIGD3 1895/4885ADORA1 475/4885HSD17B10 2969/4885
US-20100196321-A1 COMPOUNDS HAVCR2, ACE, ACE2 TMIGD3 4653/4885ADORA1 2051/4885HSD17B10 677/4885

“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.