SCHEMBL4511564

SCHEMBL4511564

O=c1[nH]nc2c3ccccc3c(CCCO)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LTK P29376 2/20 0.40
ALK Q9UM73 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MST1R Q04912 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1A Q13627 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
GSK3A P49840 12/20 0.37
GSK3B P49841 12/20 0.37
PDE5A O76074 1/20 0.36
CAMK2D Q13557 1/20 0.36

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
SCHEMBL13933585 0.87 LTK (0.44) LTKALKDYRK1BRETMET
SCHEMBL4508403 0.86 CHEK1 (0.40) LTKALKDYRK1BRETMET
SCHEMBL13920080 0.86 PBRM1 (0.42) LTKALKDYRK1BRETMET
SCHEMBL4241608 0.83 GSK3A (0.44) GSK3AGSK3B
SCHEMBL4517371 0.81 GSK3A (0.43) GSK3AGSK3B
SCHEMBL4509257 0.78 GSK3A (0.39) GSK3AGSK3B
SCHEMBL13920074 0.77 PDPK1 (0.42) RPS6KA3ALDH1A1GSK3BCAMK2D
SCHEMBL13920084 0.75 LTK (0.35) LTKALKDYRK1BRETMET
SCHEMBL4506538 0.74 CHEK1 (0.38) LTKALKDYRK1BRETMET
SCHEMBL4517379 0.72 PDE5A (0.49) LTKALKDYRK1BRETMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
US-7501435-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-03-10 US disclosed
WO-2007127138-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 US disclosed
US-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 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-20070254879-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 POLB 809/4885LTK 488/4885ALK 1292/4885

“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.