SCHEMBL3243063

SCHEMBL3243063

Nc1nccc(-c2ccc(C(F)(F)F)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
MAP4K4 O95819 1/20 0.43
NOS3 P29474 2/20 0.43
NOS2 P35228 2/20 0.43
TOP1 P11387 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
JAK2 O60674 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TOP2A P11388 1/20 0.40
RIPK1 Q13546 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HEXA P06865 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
SCHEMBL6826880 0.82 KIF11 (0.47) KIF11MAP4K4NOS3NOS2TOP1
SCHEMBL17555671 0.79 CDK2 (0.43) MAP4K4NOS3NOS2CDK1CCNB1
SCHEMBL5973721 0.79 MAPT (0.47) MAP4K4NOS3NOS2
SCHEMBL29888283 0.79 MKNK1 (0.54) KIF11MAP4K4TOP1TLR7JAK2
Iodide SCHEMBL31385461 0.77 MAPT (0.46) MAP4K4NOS3NOS2
SCHEMBL5319523 0.76 NOS2 (0.44) NOS3NOS2MKNK1MKNK2
SCHEMBL11901650 0.76 MAP4K4 (0.46) MAP4K4NOS3NOS2
SCHEMBL13730604 0.76 NOS3 (0.52) MAP4K4NOS3NOS2GSK3B
SCHEMBL25250732 0.75 KIF11 (0.47) KIF11MAP4K4TOP1CCNB2CDK1
SCHEMBL4574243 0.75 KIF11 (0.56) KIF11JAK2MKNK1MKNK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745020-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-06-29 US disclosed
US-20080193795-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-14 US disclosed
WO-2007078185-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2007-07-12 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-20080193795-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same PRMT5, CHRM5, PRMT6 KIF11 3648/4885MAP4K4 3692/4885NOS3 809/4885

“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.