SCHEMBL2209192

SCHEMBL2209192

NCC1CCN(c2cncc(-c3cncc(/C=C/C(=O)O)c3)n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 17/20 0.80
PIM1 P11309 5/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2A1 P68400 1/20 0.52
FFAR4 Q5NUL3 1/20 0.47
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL2213288 1.00 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1FFAR4
SCHEMBL2213149 0.89 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2211029 0.89 PIM2 (0.73) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2213145 0.89 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2211770 0.80 PIM2 (0.84) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2211777 0.80 PIM2 (0.84) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2212617 0.79 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1ROCK2
SCHEMBL2212623 0.79 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1ROCK2
SCHEMBL2212866 0.78 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1FFAR4
SCHEMBL2215132 0.78 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1FFAR4

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
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
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.