SCHEMBL4064954

SCHEMBL4064954

Cc1ccc2cc3c(-c4ccc(CN)cc4)cn4c(=O)[nH]nc4c3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 11/20 0.38
GSK3B P49841 11/20 0.38
AKT2 P31751 3/20 0.38
METAP2 P50579 1/20 0.35
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
ABL1 P00519 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
LIMK1 P53667 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALK Q9UM73 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
AKT1 P31749 2/20 0.33
AKT3 Q9Y243 2/20 0.33
FECH P22830 1/20 0.33
MAP2K4 P45985 1/20 0.33

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
SCHEMBL4241887 0.88 LTK (0.41) GSK3AGSK3BAKT2METAP2CHEK1
SCHEMBL4065325 0.80 LTK (0.39) GSK3AGSK3BAKT2CHEK1DAPK3
SCHEMBL4240783 0.77 GSK3A (0.39) GSK3AGSK3B
SCHEMBL4240854 0.76 GSK3A (0.35) GSK3AGSK3B
SCHEMBL4240851 0.76 GSK3A (0.35) GSK3AGSK3B
SCHEMBL4065718 0.75 LTK (0.55) GSK3AGSK3BAKT2CHEK1DAPK3
SCHEMBL4060549 0.72 MAPK9 (0.46) GSK3AGSK3BAKT2CHEK1DAPK3
SCHEMBL4071816 0.71 BRD4 (0.45) GSK3BAKT2CHEK1DAPK3ABL1
SCHEMBL4491588 0.71 CHEK1 (0.40) AKT2METAP2CHEK1DAPK3ABL1
SCHEMBL4070659 0.71 CHEK1 (0.46) GSK3AGSK3BAKT2CHEK1AKT1

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 13 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 claimed
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-20070254879-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2007-11-01 US 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 GSK3A 226/4885GSK3B 199/4885AKT2 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.