SCHEMBL2930294

SCHEMBL2930294

CN(C)[C@@H]1CCN(C(=O)c2ccc(Nc3cncc(-c4cc5ccccc5[nH]4)n3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
KDR P35968 1/20 0.44
CDK2 P24941 3/20 0.42
CDK1 P06493 2/20 0.42
HRH3 Q9Y5N1 5/20 0.42
CCNA2 P20248 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
VNN1 O95497 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
SYK P43405 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
SCHEMBL2929169 1.00 ATR (0.47) ATRIKBKBCHUKIKBKGKDR
Trifluoroacetic Acid SCHEMBL2927386 0.95 ATR (0.45) ATRIKBKBCHUKIKBKGKDR
Trifluoroacetic Acid SCHEMBL2931238 0.95 ATR (0.45) ATRIKBKBCHUKIKBKGKDR
SCHEMBL2927055 0.88 LRRK2 (0.46) ATRKDRCDK2CCNA2TTK
SCHEMBL2928571 0.82 BTK (0.53) PIK3CAMTOR
Acetic Acid SCHEMBL2934985 0.81 BTK (0.52) PIK3CAMTOR
SCHEMBL2928966 0.79 TTK (0.46) CDK2CCNA2TTKAURKB
SCHEMBL2933832 0.79 TTK (0.46) ATRCDK2CCNA2TTKAURKB
SCHEMBL2927501 0.78 KDR (0.53) KDRCDK2CCNA2TTK
SCHEMBL2925977 0.78 KDR (0.53) KDRCDK2CCNA2TTK

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 8 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
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 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
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 ATR 556/4885IKBKB 618/4885CHUK 407/4885

“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.