SCHEMBL4240362

SCHEMBL4240362

Cc1n[nH]c(C)c1-c1ccc2ccn3c(=O)[nH]nc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.47
PRKCQ Q04759 1/20 0.39
AKT2 P31751 3/20 0.39
CHEK1 O14757 2/20 0.39
ABL1 P00519 2/20 0.38
LTK P29376 2/20 0.37
ALK Q9UM73 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
DAPK3 O43293 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
LIMK1 P53667 1/20 0.37
ROCK1 Q13464 1/20 0.37
LRRK2 Q5S007 3/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MST1R Q04912 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
SCHEMBL4242137 0.82 PRMT5 (0.50) AKT2CHEK1ABL1LTKALK
SCHEMBL4518813 0.82 JAK2 (0.49) BRD4
SCHEMBL4247370 0.77 ALK (0.37) AKT2CHEK1ABL1LTKALK
SCHEMBL4509185 0.77 CHEK1 (0.44) AKT2CHEK1ABL1LTKALK
SCHEMBL4508605 0.76 PIM1 (0.39) AKT2CHEK1ABL1LTKALK
SCHEMBL4508970 0.76 CHEK1 (0.51) AKT2CHEK1ABL1LTKALK
SCHEMBL4517652 0.76 LTK (0.39) AKT2CHEK1ABL1LTKALK
SCHEMBL4239492 0.75 PRMT5 (0.49) ACVR1CHEK1LRRK2METDYRK1A
SCHEMBL4512902 0.74 CHEK1 (0.47) AKT2CHEK1ABL1LTKALK
SCHEMBL4517754 0.74 CHEK1 (0.47) ACVR1AKT2CHEK1ABL1LTK

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 ACVR1 1831/4885PRKCQ 297/4885AKT2 1022/4885

“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.