SCHEMBL4159948

SCHEMBL4159948

NC(=O)c1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.53
MKNK1 Q9BUB5 7/20 0.51
MKNK2 Q9HBH9 7/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
MAP4K4 O95819 2/20 0.47
HIF1A Q16665 1/20 0.45
CYP11B2 P19099 1/20 0.44
PPARG P37231 1/20 0.44
CHEK2 O96017 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.43
SIRT1 Q96EB6 3/20 0.43
SIRT3 Q9NTG7 2/20 0.43

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
SCHEMBL4143243 0.90 FYN (0.57) FYNMKNK1MKNK2ROCK2ROCK1
SCHEMBL4190030 0.87 FYN (0.60) FYNMKNK1MKNK2ROCK2ROCK1
SCHEMBL4138960 0.86 FYN (0.60) FYNROCK2ROCK1HIF1ACYP11B2
SCHEMBL4148055 0.85 FYN (0.57) FYNROCK2ROCK1HIF1ACYP11B2
SCHEMBL4146617 0.84 FYN (0.64) FYNROCK2ROCK1HIF1ACYP11B2
SCHEMBL4191754 0.83 FYN (0.57) FYNMKNK1MKNK2ROCK2ROCK1
SCHEMBL4155317 0.83 FYN (0.59) FYNROCK2ROCK1MAP4K4HIF1A
SCHEMBL4160677 0.82 FYN (0.73) FYNROCK2ROCK1HIF1ACYP11B2
SCHEMBL27502394 0.82 HIF1A (0.63) ROCK2ROCK1HIF1APPARGAURKA
SCHEMBL4180476 0.81 FYN (0.58) FYNHIF1ACYP11B2PPARG

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 FYN 114/4885MKNK1 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.