SCHEMBL924045

SCHEMBL924045

CCCn1ccnc(SC(=N)N)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
PDE4D Q08499 6/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
HSD17B10 Q99714 1/20 0.33
GRM2 Q14416 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
Bromide SCHEMBL923388 0.99 TLR8 (0.35) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL924681 0.92 ALDH1A1 (0.45) TLR8ALDH1A1POLBKMT2AHSD17B10
SCHEMBL923784 0.88 ALDH1A1 (0.34) TLR8ALDH1A1KMT2AHSD17B10
SCHEMBL923794 0.80 C1S (0.35) ALDH1A1HSD17B10
SCHEMBL12907255 0.71 SMN1; SMN2 (0.46) ALDH1A1KMT2AGRM2CYP2C19
SCHEMBL924363 0.70 CYP1A2 (0.51) ALDH1A1KMT2AHSD17B10CYP2C19
SCHEMBL924488 0.68 ALDH1A1 (0.42) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL923585 0.68 ALDH1A1 (0.42) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL29068022 0.68 GRM2 (0.43) TLR8ALDH1A1POLBKMT2APDE4A
SCHEMBL27845254 0.67 TLR8 (0.42) TLR8ALDH1A1POLBKMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102632-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102632-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102632-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
EP-2250156-B1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2015-05-06 EP disclosed
EP-2250156-B1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2015-05-06 EP disclosed
US-20140100235-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETON STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2014-04-10 US disclosed
US-8637522-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-8637522-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-8637522-B2 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PAATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PAATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PAATENT GESELLSCHAFT (DE) 2011-01-20 US disclosed
EP-2250156-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-11-17 EP disclosed
WO-2009109259-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed
WO-2009109259-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 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-20140100235-A1 PYRAZINONE DERIVATIVES AS INSULIN SECRETON STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES GLP1R, GPR119, IAPP TLR8 2671/4885ALDH1A1 3746/4885POLB 4656/4885
US-20110015210-A1 Pyrazinone derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes GLP1R, IAPP, INSR TLR8 3057/4885ALDH1A1 2942/4885POLB 4379/4885

“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.