SCHEMBL4248308

SCHEMBL4248308

NCC(F)Cc1cn2c(=O)[nH]nc2c2cc(Cl)ccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.35
GSK3A P49840 13/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CHEK1 O14757 3/20 0.32

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
SCHEMBL13920084 0.85 LTK (0.35) GSK3BGSK3APRMT5CHEK1
SCHEMBL4493947 0.82 GSK3B (0.33) GSK3BGSK3A
SCHEMBL4511775 0.81 CHEK1 (0.46) GSK3BGSK3ACHEK1
SCHEMBL4493782 0.73 GSK3B (0.39) GSK3BGSK3ACHEK1
SCHEMBL4508767 0.73 GSK3B (0.36) GSK3BGSK3APRMT5WDR77CHEK1
SCHEMBL4508771 0.73 GSK3B (0.36) GSK3BGSK3APRMT5WDR77CHEK1
SCHEMBL4068136 0.70 CHEK1 (0.39) GSK3BGSK3ACHEK1
SCHEMBL4513957 0.70 GSK3B (0.34) GSK3BGSK3A
SCHEMBL13920130 0.68 ALDH1A1 (0.42) GSK3BGSK3A
SCHEMBL13933585 0.66 LTK (0.44) GSK3BGSK3APRMT5CHEK1

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 GSK3B 199/4885GSK3A 226/4885PRMT5 1243/4885

“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.