SCHEMBL2927593

SCHEMBL2927593

Nc1ncc(-c2ccc(C(=O)NC[C@H](O)CO)cc2)nc1-c1cc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.46
MAPK1 P28482 7/20 0.45
HDAC2 Q92769 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SYK P43405 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
PRF1 P14222 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
SCHEMBL13515289 1.00 ATR (0.46) ATRMAPK1HDAC2KDM4EALDH1A1
SCHEMBL2930914 1.00 ATR (0.46) ATRMAPK1HDAC2KDM4EALDH1A1
SCHEMBL4072663 0.87 ATR (0.46) ATRMAPK1HDAC2SYK
SCHEMBL2933636 0.83 MKNK1 (0.52) ATRMAPK1SYK
SCHEMBL2932460 0.82 ATR (0.53) ATRMAPK1HDAC2
SCHEMBL2931547 0.81 ATR (0.53) ATRHDAC2
SCHEMBL2928700 0.75 ATR (0.47) ATR
SCHEMBL2933369 0.73 ATR (0.67) ATRHPGD
SCHEMBL2925753 0.73 MKNK1 (0.64) ATR
SCHEMBL7739507 0.72 MMP12 (0.64) HDAC2KDM4EALDH1A1SMN1; SMN2

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 6 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

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 556/4885MAPK1 255/4885HDAC2 528/4885

“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.