SCHEMBL2632886

SCHEMBL2632886

CC(C)(C)OC(=O)NCCNC(=O)c1nc(N)c(C(=O)NCCNC(=O)OC(C)(C)C)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CSNK1D P48730 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BCHE P06276 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL13510973 0.94 TDP1 (0.41) TDP1CSNK1DMAOAMAOBBCHE
SCHEMBL15494280 0.93 CA12 (0.44) TDP1CSNK1DMAOAMAOBBCHE
SCHEMBL12185448 0.89 TDP1 (0.46) TDP1MAOAMAOBCA12CA1
SCHEMBL1134533 0.83 TDP1 (0.49) TDP1MAOAMAOBCA12CA1
SCHEMBL2838329 0.80 BCHE (0.48) TDP1BCHEMEN1GAAKMT2A
SCHEMBL18337899 0.77 HTT (0.42) TDP1CSNK1DMAOAMAOBBCHE
SCHEMBL3341020 0.77 TDP1 (0.67) TDP1MAOAMAOBBCHECA12
SCHEMBL17299222 0.77 MLYCD (0.47) L3MBTL1ALDH1A1
SCHEMBL2846431 0.77 STK17B (0.45) TDP1BCHEMEN1GAAKMT2A
SCHEMBL15185777 0.74 KDM4E (0.43) TDP1GAAKMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303570-B2 Compositions and methods for assessing eye vasculature MEDIBEACON INC. (US) 2025-05-20 US disclosed
US-20230173111-A1 COMPOSITIONS AND SYSTEMS FOR RENAL FUNCTION DETERMINATION MEDIBEACON INC. 2023-06-08 US disclosed
US-20230173111-A1 COMPOSITIONS AND SYSTEMS FOR RENAL FUNCTION DETERMINATION MEDIBEACON INC. 2023-06-08 US disclosed
US-20230158175-A1 METHODS FOR RENAL FUNCTION DETERMINATION MEDIBEACON INC. 2023-05-25 US disclosed
US-20230158175-A1 METHODS FOR RENAL FUNCTION DETERMINATION MEDIBEACON INC. 2023-05-25 US disclosed
US-20230132384-A9 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE MEDIBEACON INC. 2023-04-27 US disclosed
US-20230132384-A9 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE MEDIBEACON INC. 2023-04-27 US disclosed
US-11602570-B2 Compositions and systems for renal function determination MEDIBEACON INC. (US) 2023-03-14 US disclosed
US-11590244-B2 Methods for renal function determination MEDIBEACON INC. (US) 2023-02-28 US disclosed
US-20220016269-A1 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE MEDIBEACON INC (US) 2022-01-20 US disclosed
EP-2145879-A1 Pyrazine derivatives, methods of use, and methods for preparing same Mallinckrodt Inc. (US) 2010-01-20 EP disclosed
US-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same MALLINCKRODT INC. (US) 2010-01-14 US disclosed
US-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same MALLINCKRODT INC. (US) 2010-01-14 US disclosed
EP-2143716-A1 Pyrazine derivatives, methods of use, and methods for preparing same Mallinckrodt Inc. (US) 2010-01-13 EP disclosed
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON INC. 2009-08-06 US disclosed
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON INC. 2009-08-06 US disclosed
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON INC. 2009-08-06 US disclosed
WO-2009061473-A2 PHOTONIC SHELL-CORE CROSS LINKED AND FUNCTIONALIZED NANOSTRUCTURES FOR BIOLOGICAL APPLICATIONS MALLINCKRODT INC. (US) 2009-05-14 WO disclosed
WO-2009061473-A2 PHOTONIC SHELL-CORE CROSS LINKED AND FUNCTIONALIZED NANOSTRUCTURES FOR BIOLOGICAL APPLICATIONS MALLINCKRODT INC. (US) 2009-05-14 WO 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 (9 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-11602570-B2 Compositions and systems for renal function determination GLS, ATP6V1B1, REN TDP1 2576/4885CSNK1D 4611/4885MAOA 3447/4885
US-20100010223-A1 Pyrazine derivatives, Methods of use, and methods for preparing same DPYD, DHPS, DHX15 TDP1 747/4885CSNK1D 4265/4885MAOA 303/4885
US-20230132384-A9 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE LIPG, FLT4, FABP3 TDP1 1779/4885CSNK1D 3816/4885MAOA 1670/4885
US-20230173111-A1 COMPOSITIONS AND SYSTEMS FOR RENAL FUNCTION DETERMINATION GLS, ATP6V1B1, REN TDP1 2576/4885CSNK1D 4611/4885MAOA 3447/4885
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring GLS, CYP3A5, PYCR1 TDP1 3113/4885CSNK1D 2443/4885MAOA 676/4885
US-11590244-B2 Methods for renal function determination GLS, REN, ATP6V1B1 TDP1 2722/4885CSNK1D 4461/4885MAOA 1251/4885
US-20230158175-A1 METHODS FOR RENAL FUNCTION DETERMINATION GLS, SHBG, OGFR TDP1 3799/4885CSNK1D 3709/4885MAOA 2071/4885
US-12303570-B2 Compositions and methods for assessing eye vasculature LIPG, FLT4, FABP3 TDP1 1779/4885CSNK1D 3816/4885MAOA 1670/4885
US-20220016269-A1 COMPOSITIONS AND METHODS FOR ASSESSING EYE VASCULATURE LIPG, FLT4, FABP3 TDP1 1779/4885CSNK1D 3816/4885MAOA 1670/4885

“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.