SCHEMBL2933583

SCHEMBL2933583

CCN(CCO)C(=O)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.45
CDK5 Q00535 7/20 0.44
CDK5R1 Q15078 7/20 0.44
HPGD P15428 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKDC P78527 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2930486 0.80 CDK5 (0.44) ITKCDK5CDK5R1ATRCCNE1
SCHEMBL2933637 0.79 CDK5 (0.55) ITKCDK5CDK5R1HPGDALDH1A1
SCHEMBL27745020 0.74 CDK5 (0.46) ITKCDK5CDK5R1MAPTPRKDC
SCHEMBL2927851 0.72 KDM4E (0.50) ITKCDK5CDK5R1HPGDALDH1A1
SCHEMBL2933201 0.72 KDM4E (0.50) ITKCDK5CDK5R1HPGDALDH1A1
SCHEMBL13515298 0.72 KDM4E (0.50) ITKCDK5CDK5R1HPGDALDH1A1
SCHEMBL2925834 0.71 KDR (0.43) ATR
SCHEMBL17422799 0.71 CDK5 (0.57) ITKCDK5CDK5R1HPGDALDH1A1
SCHEMBL22926297 0.71 ALDH1A1 (0.54) ITKCDK5CDK5R1HPGDGAA
SCHEMBL2927882 0.70 RIPK1 (0.55) CDK5CDK5R1HPGDATR

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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN claimed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 ITK 596/4885CDK5 240/4885CDK5R1 205/4885

“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.