SCHEMBL13377948

SCHEMBL13377948

CN(C)c1nc(C(=O)O)c(N(C)C)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL13377995 0.87 TSHR (0.41) HPGDALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL15461696 0.75 HPGD (0.42) HPGDALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL19482662 0.72 HPGD (0.37) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL28069552 0.68 KMO (0.43) HPGDALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL12449600 0.67 SLC29A1 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2TDP1
SCHEMBL22382 0.66 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL27571575 0.64 ALDH1A1 (0.37) HPGDALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL28726114 0.64 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL2168269 0.63 CA12 (0.42) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL29415465 0.63 ALDH1A1 (0.46) HPGDALDH1A1KDM4EMAPTSMN1; SMN2

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 9 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-8778309-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON LLC (US) 2014-07-15 — — US 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

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-20220127237-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, XDH, CYP4F12 HPGD 408/4885ALDH1A1 546/4885KDM4E 2713/4885
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function GLS, CYP4F12, XDH HPGD 297/4885ALDH1A1 393/4885KDM4E 3146/4885
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH HPGD 297/4885ALDH1A1 393/4885KDM4E 3146/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH HPGD 297/4885ALDH1A1 393/4885KDM4E 3146/4885

“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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