SCHEMBL1990956

SCHEMBL1990956

O=C1NC(=O)/C(=C/c2ccc3c(c2)CN(c2ccccn2)CCO3)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
MTOR P42345 3/20 0.48
CLK1 P49759 3/20 0.47
DYRK1A Q13627 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
DYRK2 Q92630 2/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
CISD1 Q9NZ45 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PIK3CD O00329 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL1990957 1.00 GSK3B (0.52) GSK3BMTORCLK1DYRK1ADYRK1B
Maleic Acid SCHEMBL1988832 0.94 GSK3B (0.46) GSK3BMTORCLK1DYRK1ADYRK1B
Fumaric Acid SCHEMBL1988836 0.94 GSK3B (0.46) GSK3BMTORCLK1DYRK1ADYRK1B
Maleic Acid SCHEMBL1988834 0.94 GSK3B (0.46) GSK3BMTORCLK1DYRK1ADYRK1B
SCHEMBL1989631 0.81 GRIN2D (0.46) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL1992433 0.80 GSK3B (0.48) GSK3BMTORCLK1DYRK1ADYRK1B
SCHEMBL1992434 0.80 GSK3B (0.48) GSK3BMTORCLK1DYRK1ADYRK1B
SCHEMBL6795136 0.74 DYRK1A (0.79) GSK3BCLK1DYRK1ADYRK1BCSNK2A2
SCHEMBL2884578 0.74 DYRK1A (0.79) GSK3BCLK1DYRK1ADYRK1BCSNK2A2
SCHEMBL2884580 0.74 DYRK1A (0.79) GSK3BCLK1DYRK1ADYRK1BCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263587-B2 Benzoxazepine compounds, their preparation and use PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-11 US claimed
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 EP claimed
US-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-06-23 US claimed
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP claimed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO claimed
US-8263587-B2 Benzoxazepine compounds, their preparation and use PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-11 US disclosed
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 EP disclosed
US-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-06-23 US disclosed
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 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 (1 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-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE GPR119, INSR, SLC5A1 GSK3B 885/4885MTOR 1756/4885CLK1 2444/4885

“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.