SCHEMBL2931626

SCHEMBL2931626

O=C(O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.39
PIM3 Q86V86 1/20 0.38
DDX3X O00571 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
ITK Q08881 2/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SYK P43405 1/20 0.36
KDR P35968 1/20 0.36
MET P08581 1/20 0.35
P2RY1 P47900 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
AURKA O14965 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
GSK3B P49841 1/20 0.35
AURKB Q96GD4 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35

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
SCHEMBL2928708 0.88 BRAF (0.39) BRAFDDX3XTBK1ITKXDH
SCHEMBL2931035 0.82 L3MBTL1 (0.43) BRAFKDRCDK2
Trifluoroacetic Acid SCHEMBL2935067 0.80 L3MBTL1 (0.40) KDRCDK2
SCHEMBL2933256 0.79 BRAF (0.57) BRAFITK
SCHEMBL2934019 0.79 BRAF (0.47) BRAFTBK1ITKSYKMAPK8
Acetic Acid SCHEMBL2933253 0.78 BRAF (0.47) BRAFITKSYKMAPK8MKNK2
SCHEMBL2932836 0.76 ITK (0.41) BRAFITKKDR
SCHEMBL2927043 0.76 HCAR3 (0.48) BRAFTBK1ITKSLC22A12SYK
SCHEMBL2933809 0.75 PTK6 (0.45) SYKKDRAURKB
SCHEMBL2935070 0.75 BRAF (0.34) BRAFPIM3ITKSYKKDR

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 4 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 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
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 BRAF 524/4885PIM3 2131/4885DDX3X 2036/4885

“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.