SCHEMBL2213907

SCHEMBL2213907

O=C(O)C=Cc1cccc(-c2cccc(N3CCCNCC3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 12/20 0.80
PIM1 P11309 3/20 0.73
CSNK2A2 P19784 1/20 0.58
CSNK2A1 P68400 1/20 0.58
CNR1 P21554 4/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.44
KARS1 Q15046 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
SCHEMBL2212309 1.00 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1CNR1
SCHEMBL12512853 0.90 PIM2 (0.80) PIM2PIM1CSNK2A2CSNK2A1CNR1
SCHEMBL2215046 0.89 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2215041 0.89 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2214123 0.84 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1CNR1
SCHEMBL2214127 0.84 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1CNR1
SCHEMBL2211766 0.84 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2211780 0.84 PIM2 (1.00) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL2212274 0.84 PIM2 (0.92) PIM2PIM1CSNK2A2CSNK2A1CNR1
SCHEMBL2214502 0.84 PIM2 (0.78) PIM2PIM1CSNK2A2CSNK2A1CNR1

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 9 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
EP-2061762-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION Boehringer Ingelheim International GmbH (DE) 2009-05-27 EP claimed
WO-2008022164-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 WO claimed
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
EP-2061762-A2 PYRAZINE COMPOUNDS, THEIR USE AND METHODS OF PREPARATION Boehringer Ingelheim International GmbH (DE) 2009-05-27 EP 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.