SCHEMBL2928003

SCHEMBL2928003

CN(C)CCOc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1cncc(-c2cc3cc(F)ccc3[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
DYRK1A Q13627 2/20 0.40
LRRK2 Q5S007 5/20 0.40
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
KDR P35968 1/20 0.38
TTK P33981 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
AURKB Q96GD4 1/20 0.38
ROCK2 O75116 2/20 0.37
SYK P43405 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
BRD4 O60885 1/20 0.37
VCP P55072 1/20 0.37

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
SCHEMBL2929057 0.90 SYK (0.43) HRH4DYRK1ALRRK2KDRTTK
SCHEMBL2927366 0.90 LRRK2 (0.43) HRH4DYRK1ALRRK2KDRTTK
SCHEMBL2930971 0.88 DYRK1A (0.47) HRH4DYRK1ALRRK2KDRTTK
Trifluoroacetic Acid SCHEMBL2928635 0.84 DYRK1A (0.47) HRH4DYRK1ALRRK2KDRTTK
SCHEMBL2929192 0.82 SYK (0.40) HRH4KDRTTKCCNA2CDK2
SCHEMBL14269675 0.81 TTK (0.43) DYRK1ALRRK2TTKCCNA2CDK2
Hydrochloric Acid SCHEMBL2936353 0.80 MKNK1 (0.49) DYRK1ALRRK2KDRTTKCCNA2
Trifluoroacetic Acid SCHEMBL2933646 0.79 SYK (0.37) HRH4TTKCCNA2CDK2AURKB
SCHEMBL2933015 0.79 KDR (0.45) DYRK1ALRRK2KDRTTKCCNA2
SCHEMBL2930788 0.79 KDR (0.50) HRH4DYRK1ALRRK2KDRTTK

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
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP 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 HRH4 1833/4885DYRK1A 498/4885LRRK2 309/4885

“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.