SCHEMBL4170615

SCHEMBL4170615

Nc1n[nH]c2ccc(Nc3c(NCc4cccc(O)c4)c(=O)c3=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.51
ROCK1 Q13464 4/20 0.51
CLK4 Q9HAZ1 4/20 0.51
CHEK1 O14757 3/20 0.51
ROCK2 O75116 3/20 0.51
GSK3B P49841 3/20 0.51
PRKG1 Q13976 3/20 0.51
RPS6KB1 P23443 3/20 0.51
AURKB Q96GD4 3/20 0.51
PRKD3 O94806 2/20 0.51
DAPK3 O43293 2/20 0.51
CHEK2 O96017 2/20 0.51
PRKACA P17612 2/20 0.51
AKT1 P31749 2/20 0.51
AKT2 P31751 2/20 0.51
CLK2 P49760 2/20 0.51
RPS6KA3 P51812 2/20 0.51
PRKAA1 Q13131 2/20 0.51
PRKG2 Q13237 2/20 0.51
PKN2 Q16513 2/20 0.51

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
SCHEMBL1228234 0.88 JAK2 (0.52) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1229917 0.85 TTK (0.46) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1229259 0.85 ROCK1 (0.54) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1229781 0.85 RPS6KB1 (0.62) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1228795 0.85 ROCK1 (0.43) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1228419 0.83 ROCK1 (0.45) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1228940 0.83 RPS6KB1 (0.44) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL4903209 0.82 ROCK2 (0.48) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1228816 0.82 ROCK2 (0.46) JAK2ROCK1CLK4CHEK1ROCK2
SCHEMBL1228428 0.81 CDK7 (0.52) JAK2ROCK1CLK4CHEK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
US-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors MERCK PATENT GMBH (DE) 2009-02-05 US disclosed
EP-1866288-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS Merck Patent GmbH (DE) 2007-12-19 EP disclosed
WO-2006105865-A1 INDAZOLE SQUARIC ACID DERIVATIVES AS CHK1-, CHK2- AND SGK- INHIBITORS MERCK PATENT GMBH (DE) 2006-10-12 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-20090036449-A1 Indazolesquaric Acid Derivatives as Chk1, Chk2 and Sgk Inhibitors CHEK2, CHEK1, SIK2 JAK2 351/4885ROCK1 979/4885CLK4 66/4885

“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.