SCHEMBL588733

SCHEMBL588733

NCCN(CCN)C(=O)c1cnc(C(N)=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.47
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
KMT2A Q03164 1/20 0.35
LCK P06239 1/20 0.32
MAOB P27338 1/20 0.32
P4HTM Q9NXG6 1/20 0.31
ROCK1 Q13464 1/20 0.31
GSK3B P49841 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30

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
SCHEMBL28817951 0.76 PIM1 (0.39) TSHRKMT2AROCK1KDM4E
SCHEMBL2635320 0.76 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2516931 0.76 SIRT6 (0.45) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2635751 0.76 SIRT6 (0.34) SIRT6MAOB
SCHEMBL2482296 0.76 SIRT6 (0.45) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL7105124 0.75 L3MBTL1 (0.41) SIRT6ROCK1
SCHEMBL590665 0.73 SIRT6 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL1811130 0.73 CXCR4 (0.39) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.73 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL589138 0.72 CKS1B (0.46) SIRT6KMT2AMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666371-A Sensor assembly with movable skin sensor 麦迪贝肯有限公司 2023-01-31 CN disclosed
CN-111436947-A Two-piece sensor assembly and method of use 麦迪贝肯有限公司 2020-07-24 CN disclosed
US-20140286874-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON, INC. 2014-09-25 US disclosed
EP-2029554-B1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING MEDIBEACON LLC (US) 2014-03-19 EP disclosed
US-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MALLINCKRODT LLC (US) 2012-04-26 US disclosed
US-8115000-B2 Pyrazine derivatives and uses thereof in renal monitoring MALLINCKRODT LLC (US) 2012-02-14 US disclosed
EP-2029554-A1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING Mallinckrodt, Inc. (US) 2009-03-04 EP disclosed
WO-2007149479-A1 PYRAZINE DERIVATIVES AND USES THEREOF IN RENAL MONITORING MALLINCKRODT INC. (US) 2007-12-27 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-20140286874-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH SIRT6 1607/4885ADORA3 638/4885TSHR 1940/4885
US-20120100078-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring CYP3A5, GLS, XDH SIRT6 1607/4885ADORA3 638/4885TSHR 1940/4885

“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.