SCHEMBL2930486

SCHEMBL2930486

CN(C)CCCN(C)C(=O)c1ccc(-c2cncc(-c3cc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 6/20 0.44
CDK5R1 Q15078 6/20 0.44
ITK Q08881 5/20 0.44
FYN P06241 1/20 0.42
ATR Q13535 1/20 0.42
PARP1 P09874 1/20 0.42
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
CCNE2 O96020 1/20 0.40
PIM1 P11309 1/20 0.40
RET P07949 1/20 0.39

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
SCHEMBL2933583 0.80 ITK (0.45) CDK5CDK5R1ITKATRCCNE1
SCHEMBL2925834 0.80 KDR (0.43) ATR
SCHEMBL2933637 0.79 CDK5 (0.55) CDK5CDK5R1ITK
SCHEMBL27745020 0.74 CDK5 (0.46) CDK5CDK5R1ITKATRCCNE1
SCHEMBL2930885 0.73 TTK (0.45) ITKCDK2
SCHEMBL17422799 0.71 CDK5 (0.57) CDK5CDK5R1ITKATRGSK3B
SCHEMBL2927851 0.71 KDM4E (0.50) CDK5CDK5R1ITKATR
SCHEMBL13515298 0.71 KDM4E (0.50) CDK5CDK5R1ITKATR
SCHEMBL2933201 0.71 KDM4E (0.50) CDK5CDK5R1ITKATR
SCHEMBL17422726 0.70 CDK5 (0.56) CDK5CDK5R1ITKATRGSK3B

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
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 CDK5 240/4885CDK5R1 205/4885ITK 596/4885

“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.