SCHEMBL4068153

SCHEMBL4068153

NCCCc1cn2c(=O)[nH]nc2c2cc3cc(F)ccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.38
PLK1 P53350 2/20 0.36
GSK3B P49841 10/20 0.33
GSK3A P49840 9/20 0.33
DAO P14920 2/20 0.31

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
SCHEMBL4247437 0.90 GSK3B (0.34) MPOGSK3BGSK3A
SCHEMBL4244471 0.89 GSK3A (0.32) MPOPLK1GSK3BGSK3A
SCHEMBL4506538 0.88 CHEK1 (0.38) GSK3BGSK3A
SCHEMBL4240783 0.87 GSK3A (0.39) GSK3BGSK3A
SCHEMBL4068136 0.87 CHEK1 (0.39) GSK3BGSK3A
SCHEMBL4070106 0.86 CYP1A2 (0.33) GSK3BGSK3A
SCHEMBL4061355 0.80 PDE5A (0.38) GSK3BGSK3A
SCHEMBL4508403 0.78 CHEK1 (0.40) MPOGSK3BGSK3A
SCHEMBL4511775 0.77 CHEK1 (0.46) GSK3BGSK3A
SCHEMBL13933336 0.73 GSK3B (0.42) GSK3BGSK3A

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 MPO 4874/4885PLK1 3/4885GSK3B 199/4885

“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.