SCHEMBL4517652

SCHEMBL4517652

O=c1[nH]nc2c3cc(-c4cncnc4)ccc3ccn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.39
ALK Q9UM73 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CHEK1 O14757 2/20 0.39
DAPK3 O43293 1/20 0.39
ABL1 P00519 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
LIMK1 P53667 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 5/20 0.39
LRRK2 Q5S007 3/20 0.39
MET P08581 2/20 0.39
RET P07949 1/20 0.39
GRK5 P34947 1/20 0.39
CDK8 P49336 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MST1R Q04912 1/20 0.39
TYRO3 Q06418 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL4506161 0.86 CHEK1 (0.47) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4509185 0.85 CHEK1 (0.44) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4517754 0.82 CHEK1 (0.47) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4239492 0.80 PRMT5 (0.49) CHEK1DYRK1ALRRK2MET
SCHEMBL4499252 0.80 CHEK1 (0.47) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4496917 0.80 CHEK1 (0.47) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4491588 0.80 CHEK1 (0.40) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4510609 0.79 GSK3A (0.39) LTKALKDYRK1BCHEK1DAPK3
SCHEMBL4240405 0.78 PRMT5 (0.50) LTKALKDYRK1BDYRK1ALRRK2
SCHEMBL4512902 0.77 CHEK1 (0.47) LTKALKDYRK1BCHEK1DAPK3

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.