SCHEMBL4139867

SCHEMBL4139867

c1ccc2cc(-c3cnc(NCCc4ccncc4)cn3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.45
MKNK1 Q9BUB5 9/20 0.45
MKNK2 Q9HBH9 9/20 0.45
ACP1 P24666 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
RPS6KB1 P23443 1/20 0.43
TYK2 P29597 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4155177 0.88 PTGDR (0.49) TPH1MKNK1MKNK2ACP1JAK2
SCHEMBL4160480 0.86 PDGFRB (0.50) TPH1MKNK1MKNK2ACP1KDM4E
SCHEMBL4995521 0.84 BRAF (0.53) MKNK1MKNK2ACP1SIGMAR1KDM4E
SCHEMBL4148108 0.80 FYN (0.41) TPH1MKNK1MKNK2JAK2ROCK2
SCHEMBL3645075 0.79 MKNK1 (0.60) MKNK1MKNK2CLK2GSK3BDYRK1A
SCHEMBL4147501 0.79 CCNT1 (0.46) MKNK1MKNK2PTGDRCCNT1
SCHEMBL4139805 0.79 FYN (0.56) TPH1KDM4EHTTPTGDR
SCHEMBL4161155 0.78 PTGDR (0.51) MKNK1MKNK2CYP11B1CYP11B2KDM4E
SCHEMBL4142715 0.78 MKNK1 (0.48) MKNK1MKNK2CYP11B1KDM4EKCNH3
SCHEMBL4152258 0.78 PIM1 (0.52) MKNK1MKNK2ROCK2ROCK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT TPH1 2806/4885MKNK1 210/4885MKNK2 213/4885

“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.