SCHEMBL4239492

SCHEMBL4239492

Cn1cc(-c2ccc3ccn4c(=O)[nH]nc4c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
ACVR1 Q04771 1/20 0.46
MET P08581 3/20 0.45
AXL P30530 2/20 0.44
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.42
GSK3B P49841 7/20 0.41
DYRK1A Q13627 7/20 0.41
LRRK2 Q5S007 1/20 0.39
PIK3CA P42336 1/20 0.39
CHEK1 O14757 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
SCHEMBL4250047 0.82 PRMT5 (0.55) PRMT5WDR77GSK3BDYRK1APIK3CA
SCHEMBL4517652 0.80 LTK (0.39) METDYRK1ALRRK2CHEK1
SCHEMBL4509185 0.79 CHEK1 (0.44) METDYRK1ALRRK2CHEK1
SCHEMBL4517754 0.78 CHEK1 (0.47) ACVR1METGSK3BDYRK1ALRRK2
SCHEMBL4506161 0.77 CHEK1 (0.47) PRMT5WDR77ACVR1METGSK3B
SCHEMBL4491588 0.76 CHEK1 (0.40) PRMT5WDR77METDYRK1ALRRK2
SCHEMBL4499252 0.76 CHEK1 (0.47) METGSK3BDYRK1ALRRK2CHEK1
SCHEMBL4496917 0.76 CHEK1 (0.47) METMAPK1GSK3BDYRK1ALRRK2
SCHEMBL4510609 0.75 GSK3A (0.39) METGSK3BDYRK1ALRRK2CHEK1
SCHEMBL4240362 0.75 ACVR1 (0.47) ACVR1METBRD4DYRK1ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013212-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2009-01-14 EP claimed
WO-2007127138-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-11-08 WO claimed
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
EP-2013212-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2009-01-14 EP disclosed
WO-2007127138-A1 TRIAZOLOQUINAZOLINONE DERIVATIVES AS INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-11-08 WO 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 PRMT5 1243/4885WDR77 916/4885ACVR1 1831/4885

“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.