SCHEMBL2485535

SCHEMBL2485535

O=C1NCCn2ccc(O)c21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
PARP1 P09874 14/20 0.45
ACHE P22303 1/20 0.35
CDC7 O00311 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
SCHEMBL10446487 0.82 ALDH1A1 (0.47) ALDH1A1GAAPARP1ACHE
SCHEMBL31750298 0.78 ALDH1A1 (0.50) ALDH1A1GAAPARP1CDC7
SCHEMBL13189674 0.78 ALDH1A1 (0.50) ALDH1A1GAAPARP1
SCHEMBL13589774 0.78 ALDH1A1 (0.50) ALDH1A1GAAPARP1CDC7
SCHEMBL20100521 0.78 ALDH1A1 (0.50) ALDH1A1GAAPARP1CDC7
SCHEMBL13589780 0.78 ALDH1A1 (0.50) ALDH1A1GAAPARP1
SCHEMBL20100593 0.77 ALDH1A1 (0.46) ALDH1A1GAAPARP1
SCHEMBL30731345 0.74 ALDH1A1 (0.46) ALDH1A1GAAPARP1
SCHEMBL20100677 0.74 ALDH1A1 (0.43) ALDH1A1GAAPARP1
SCHEMBL20100561 0.73 PARP1 (0.56) ALDH1A1GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2376492-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2011-10-19 EP 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-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 (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-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 ALDH1A1 1974/4885GAA 2260/4885PARP1 381/4885
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 ALDH1A1 2930/4885GAA 2596/4885PARP1 591/4885

“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.