SCHEMBL4319121

SCHEMBL4319121

C[C@H](Nc1cncc(-n2cnc3cc(NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)ccc32)n1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
JAK2 O60674 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
CSF1R P07333 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
JAK3 P52333 4/20 0.39
POLB P06746 1/20 0.39
STK16 O75716 1/20 0.39
FYN P06241 1/20 0.39
SRC P12931 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
BTK Q06187 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
SCHEMBL3153474 0.91 AURKA (0.49) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL13932960 0.90 AURKA (0.44) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL3143965 0.89 AURKA (0.43) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL7018108 0.87 LCK (0.53) NPC1MEN1KMT2AJAK2JAK3
SCHEMBL7019412 0.85 LCK (0.52) NPC1JAK2JAK3
SCHEMBL7022809 0.85 LCK (0.52) NPC1JAK2JAK3
SCHEMBL3143344 0.85 AURKA (0.54) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL3138272 0.80 AURKA (0.49) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL13666773 0.80 AURKA (0.49) AURKAAURKBNPC1JAK2CSF1R
SCHEMBL3144080 0.80 AURKA (0.56) AURKAAURKBNPC1JAK2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7598272-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-10-06 US disclosed
US-7511047-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2009-03-31 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-7259179-B2 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-08-21 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20070161635-A1 Kinase inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2007-07-12 US disclosed
US-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2006-10-26 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 (2 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-20060241112-A1 Such as n-(4-fluorobenzyl)-6-(4-methyl-1H-imidazol-1-yl)pyrazin-2-amine; protein kinase associated disease states MAP4K2, MAP4K5, MAP4K4 AURKA 440/4885AURKB 448/4885NPC1 678/4885
US-20070161635-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K10 AURKA 358/4885AURKB 352/4885NPC1 1491/4885

“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.