SCHEMBL2211564

SCHEMBL2211564

CN1CCCN(c2cncc(-c3cccc(/C=C/C(=O)NS(C)(=O)=O)c3)n2)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 14/20 0.76
PIM1 P11309 2/20 0.76
CSNK2A2 P19784 1/20 0.76
CSNK2A1 P68400 1/20 0.76
CHEK1 O14757 1/20 0.45
DYRK1A Q13627 1/20 0.43
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
MCHR1 Q99705 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
SCHEMBL2211567 1.00 PIM2 (0.76) PIM2PIM1CSNK2A2CSNK2A1CHEK1
SCHEMBL12512814 0.89 PIM2 (0.81) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL2214184 0.86 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2212990 0.86 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2213768 0.86 PIM2 (0.81) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL2213763 0.86 PIM2 (0.81) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL2211569 0.86 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1CHEK1
SCHEMBL2211571 0.86 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1CHEK1
SCHEMBL2213503 0.85 PIM2 (0.75) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL2213509 0.85 PIM2 (0.75) PIM2PIM1CSNK2A2CSNK2A1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US claimed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP claimed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US claimed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
US-8318723-B2 Pyrazine compounds, their use and methods of preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-27 US disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
EP-2061762-B1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-07-27 EP disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
WO-2008022164-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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-20100210627-A1 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION CDK2, PIM1, CCNK PIM2 16/4885PIM1 2/4885CSNK2A2 90/4885

“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.