SCHEMBL2351827

SCHEMBL2351827

NC(=O)c1nc(N2CCNCC2)c(C(N)=O)nc1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH1 P35367 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IKBKB O14920 1/20 0.38
HRH4 Q9H3N8 4/20 0.37
ACVR1 Q04771 1/20 0.37
HTR2C P28335 2/20 0.37
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
PARP1 P09874 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL874422 0.82 HRH1 (0.41) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL4060441 0.79 HTR2C (0.43) CHRNB2CHRNA4HTR2C
Hydrochloric Acid SCHEMBL18282483 0.78 KDM4E (0.38) CHRNB2CHRNA4IRAK4IKBKBACVR1
SCHEMBL2339894 0.77 HRH1 (0.39) HRH1USP2SMN1; SMN2TDP1HTR2C
SCHEMBL2347424 0.77 KDM4E (0.56)
SCHEMBL2347716 0.77 L3MBTL1 (0.39) USP2TDP1
SCHEMBL15416210 0.75 ACVR1 (0.40) CHRNB2CHRNA4IRAK4IKBKBHRH4
SCHEMBL31474530 0.74 HRH4 (0.42) CHRNB2CHRNA4IRAK4HRH4PRKD3
SCHEMBL26136470 0.73 IKBKB (0.39) CHRNB2CHRNA4IRAK4IKBKBHRH4
SCHEMBL7984894 0.72 PARP1 (0.40) CHRNB2CHRNA4HRH4ACVR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127237-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MEDIBEACON INC. 2022-04-28 US disclosed
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON INC. (US) 2020-04-14 US disclosed
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION Medibeacon, LLC 2017-10-19 US disclosed
US-20160280665-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION Medibeacon, LLC 2016-09-29 US disclosed
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MEDIBEACON INC (US) 2016-09-29 US disclosed
US-9376399-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON LLC (US) 2016-06-28 US disclosed
US-8778309-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON LLC (US) 2014-07-15 US disclosed
US-20140039191-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function Medibeacon, LLC (US) 2014-02-06 US disclosed
EP-1854790-B1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MALLINCKRODT INC (US) 2011-08-31 EP disclosed
EP-1836175-B1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC (US) 2010-04-28 EP disclosed
EP-2135863-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-12-23 EP disclosed
EP-2039688-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-03-25 EP disclosed
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function MALLINCKRODT INC. (US) 2009-01-08 US disclosed
EP-1854790-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2007-11-14 EP disclosed
EP-1836175-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-09-26 EP disclosed
WO-2006071759-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-07-06 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 (7 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-20220127237-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, XDH, CYP4F12 CHRNB2 3238/4885CHRNA4 2058/4885HRH1 677/4885
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885
US-20160280665-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885
US-20140039191-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH CHRNB2 3181/4885CHRNA4 2131/4885HRH1 556/4885

“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.