SCHEMBL2927770

SCHEMBL2927770

CN(C)CCCN1CCN(C(=O)c2ccc(Nc3cncc(-c4cc5ccccc5[nH]4)n3)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.47
CCNA2 P20248 5/20 0.47
TTK P33981 4/20 0.47
AURKB Q96GD4 1/20 0.47
DRD3 P35462 6/20 0.41
DRD2 P14416 5/20 0.41
SYK P43405 2/20 0.40
VCP P55072 1/20 0.40
KDR P35968 1/20 0.40
CCNK O75909 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
LRRK2 Q5S007 1/20 0.37
HDAC6 Q9UBN7 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
Trifluoroacetic Acid SCHEMBL4890779 0.95 CDK2 (0.43) CDK2CCNA2TTKAURKBDRD3
SCHEMBL2927739 0.84 KDR (0.51) CDK2CCNA2TTKAURKBKDR
SCHEMBL2925834 0.83 KDR (0.43) DRD3DRD2SYKVCPKDR
SCHEMBL2929192 0.83 SYK (0.40) CDK2CCNA2TTKAURKBSYK
SCHEMBL2928684 0.80 LRRK2 (0.44) CDK2CCNA2TTKDRD3DRD2
SCHEMBL2927344 0.80 SYK (0.44) CDK2CCNA2DRD3DRD2SYK
Trifluoroacetic Acid SCHEMBL2933646 0.80 SYK (0.37) CDK2CCNA2TTKAURKBSYK
SCHEMBL2930462 0.79 DYRK1A (0.46) TTKDRD3DRD2LRRK2
Trifluoroacetic Acid SCHEMBL2932757 0.79 KDR (0.46) CDK2CCNA2TTKAURKBKDR
SCHEMBL2926010 0.78 LRRK2 (0.53) TTKKDRLRRK2

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 7 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
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
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 CDK2 182/4885CCNA2 471/4885TTK 266/4885

“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.