SCHEMBL2931827

SCHEMBL2931827

CN1CCN(C(=O)c2ccc(-c3cncc(-c4cc5ccccc5[nH]4)c3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.59
KDR P35968 1/20 0.58
HRH4 Q9H3N8 5/20 0.55
POLB P06746 1/20 0.54
VCP P55072 1/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAP3K11 Q16584 1/20 0.47
CHEK1 O14757 1/20 0.47
HTR2B P41595 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CDK5 Q00535 2/20 0.45

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 SCHEMBL4886432 0.93 RIPK1 (0.52) RIPK1KDRHRH4POLBVCP
SCHEMBL2931442 0.88 RIPK1 (0.59) RIPK1KDRPOLBHPGDHTR2B
SCHEMBL2934326 0.87 RIPK1 (0.54) RIPK1KDRHRH4POLBVCP
Trifluoroacetic Acid SCHEMBL2932794 0.82 RIPK1 (0.52) RIPK1POLBHPGDHTR2BMKNK1
SCHEMBL14269575 0.80 CASP3 (0.55) HPGDCHEK1MKNK1MKNK2ALDH1A1
SCHEMBL13515299 0.80 KDR (0.50) RIPK1KDRHRH4VCP
SCHEMBL2933095 0.79 CASP3 (0.53) HPGDCHEK1MKNK1MKNK2ALDH1A1
SCHEMBL2933094 0.78 CDK5 (0.52) POLBVCPHPGDCA12CA1
SCHEMBL2927597 0.77 KDR (0.58) RIPK1KDRHRH4HPGDTSHR
SCHEMBL12352755 0.76 POLB (0.61) POLBHPGDTSHRCHEK1MKNK1

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 RIPK1 592/4885KDR 3834/4885HRH4 1833/4885

“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.