SCHEMBL6868446

SCHEMBL6868446

CCOC(=O)/C=C/CN(C=O)C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
HCAR2 Q8TDS4 2/20 0.48
ALDH1A1 P00352 4/20 0.44
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.34
MDM2 Q00987 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL663908 0.80 HCAR2 (0.52) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL663907 0.80 HCAR2 (0.52) MAPTHCAR2ALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL665363 0.78 MAPT (0.50) MAPTHCAR2ALDH1A1TTRDPP4
Hydrochloric Acid SCHEMBL665362 0.78 MAPT (0.50) MAPTHCAR2ALDH1A1TTRDPP4
Water SCHEMBL28234797 0.77 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL21005410 0.77 MAPT (0.49) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL9205853 0.77 MAPT (0.53) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL9205850 0.77 MAPT (0.53) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL9473792 0.75 MAPT (0.51) MAPTHCAR2ALDH1A1TTRDPP4
SCHEMBL9473797 0.75 MAPT (0.51) MAPTHCAR2ALDH1A1TTRDPP4

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
EP-2376492-B1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-08 EP disclosed
US-8981092-B2 Substituted 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ones as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US disclosed
US-8981092-B2 Substituted 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ones as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US disclosed
EP-2528918-B1 6,7-DIHYDROIMIDAZO[1,5-A]PYRAZIN-8(5H)-ONE DERIVATIVES AS PROTEIN KINASE MODULATORS NERVIANO MEDICAL SCIENCES SRL (IT) 2014-09-10 EP disclosed
US-8772279-B2 6,7-dihydroimidazo[1,5-a]pyrazin-8(5H)-one derivatives as protein kinase modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
US-8772279-B2 6,7-dihydroimidazo[1,5-a]pyrazin-8(5H)-one derivatives as protein kinase modulators NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 US disclosed
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 US disclosed
US-8394802-B2 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one derivatives for the modulation of the activity of protein kinases NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-03-12 US disclosed
US-8394802-B2 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one derivatives for the modulation of the activity of protein kinases NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-03-12 US disclosed
US-20130029974-A1 6,7-DIHYDROIMIDAZO[1,5-A]PYRAZIN-8(5H)-ONE DERIVATIVES AS PROTEIN KINASE MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 US disclosed
US-20130029974-A1 6,7-DIHYDROIMIDAZO[1,5-A]PYRAZIN-8(5H)-ONE DERIVATIVES AS PROTEIN KINASE MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 US disclosed
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L (IT) 2011-10-13 US disclosed
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L (IT) 2011-10-13 US disclosed
WO-2011092120-A1 6,7- DIHYDROIMIDAZO [1,5-A] PYRAZIN-8 (5H) - ONE DERIVATIVES AS PROTEIN KINASE MODULATORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 WO disclosed
WO-2010031816-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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 (3 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-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 MAPT 604/4885HCAR2 4155/4885ALDH1A1 1974/4885
US-20130029974-A1 6,7-DIHYDROIMIDAZO[1,5-A]PYRAZIN-8(5H)-ONE DERIVATIVES AS PROTEIN KINASE MODULATORS MAP3K6, MAP3K1, MAP3K5 MAPT 906/4885HCAR2 4105/4885ALDH1A1 3554/4885
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES MAP3K15, MAP3K1, MAP3K3 MAPT 991/4885HCAR2 4029/4885ALDH1A1 2930/4885

“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.