SCHEMBL4065325

SCHEMBL4065325

NCc1cccc(-c2cn3c(=O)[nH]nc3c3cc4ccccc4cc23)c1

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
CDK8 P49336 2/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
GRK5 P34947 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MST1R Q04912 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDE5A O76074 1/20 0.39
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
AKT3 Q9Y243 2/20 0.36
FECH P22830 1/20 0.36
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35

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 0.91 LTK (0.41) LTKALKDYRK1BCDK8RET
SCHEMBL4071816 0.85 BRD4 (0.45) LTKALKDYRK1BCDK8RET
SCHEMBL4236081 0.83 ADORA2A (0.40) CHEK1AVPR1B
SCHEMBL4243175 0.82 PSMB8 (0.45) LRRK2GSK3AGSK3BCHEK1AVPR1B
SCHEMBL4065718 0.80 LTK (0.55) LTKALKDYRK1BCDK8RET
SCHEMBL4064954 0.80 GSK3A (0.38) LTKALKDYRK1BAKT1AKT2
SCHEMBL4060549 0.79 MAPK9 (0.46) LTKALKDYRK1BCDK8RET
SCHEMBL4061377 0.78 CYP11B1 (0.44) LTKALKDYRK1BCDK8RET
SCHEMBL4239547 0.76 LTK (0.40) LTKALKDYRK1BCDK8RET
SCHEMBL4061355 0.74 PDE5A (0.38) LTKALKDYRK1BCDK8RET

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 12 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
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.