SCHEMBL4496736

SCHEMBL4496736

O=c1[nH]nc2c3cc4ccccc4cc3ccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.48
ALK Q9UM73 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
RET P07949 1/20 0.48
MET P08581 1/20 0.48
GRK5 P34947 1/20 0.48
CDK8 P49336 1/20 0.48
RPS6KA3 P51812 1/20 0.48
MST1R Q04912 1/20 0.48
TYRO3 Q06418 1/20 0.48
DYRK1A Q13627 1/20 0.48
LRRK2 Q5S007 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
FECH P22830 1/20 0.42
CHEK1 O14757 2/20 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
SCHEMBL2119422 0.85 LTK (0.51) LTKALKDYRK1BRETMET
SCHEMBL4507799 0.77 LTK (0.40) LTKALKDYRK1BRETMET
SCHEMBL4496668 0.77 LTK (0.40) LTKALKDYRK1BRETMET
SCHEMBL4504820 0.76 PDE5A (0.48) LTKALKDYRK1BRETMET
SCHEMBL4240405 0.75 PRMT5 (0.50) LTKALKDYRK1BRETMET
SCHEMBL4512902 0.73 CHEK1 (0.47) LTKALKDYRK1BRETMET
SCHEMBL4509185 0.73 CHEK1 (0.44) LTKALKDYRK1BRETMET
SCHEMBL237635 0.72 PDE3B (0.46) LTKALKDYRK1BRETMET
SCHEMBL4500850 0.72 CHEK1 (0.48) LTKALKDYRK1BRETMET
SCHEMBL4506161 0.72 CHEK1 (0.47) 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 LTK 488/4885ALK 1292/4885DYRK1B 594/4885

“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.