SCHEMBL4240405

SCHEMBL4240405

O=c1[nH]nc2c3cc(-c4cnc5ccccc5c4)ccc3ccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
PIK3CA P42336 6/20 0.43
MTOR P42345 3/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
TDP2 O95551 1/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
AKT3 Q9Y243 2/20 0.41
FECH P22830 1/20 0.41
BIRC5 O15392 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL4517652 0.78 LTK (0.39) AKT1AKT2AKT3FECHCLK4
SCHEMBL29515639 0.78 MET (0.51) AKT1AKT2AKT3FECHCLK4
SCHEMBL4506161 0.78 CHEK1 (0.47) PRMT5WDR77PDGFRBPDGFRACLK4
Hydrochloric Acid SCHEMBL29737397 0.77 AKT1 (0.50) AKT1AKT2AKT3FECHCLK4
SCHEMBL4509185 0.77 CHEK1 (0.44) AKT1AKT2AKT3FECHCLK4
SCHEMBL4517754 0.76 CHEK1 (0.47) AKT1AKT2AKT3FECHCLK4
SCHEMBL2119422 0.76 LTK (0.51) MTORAKT1AKT2AKT3FECH
SCHEMBL4510609 0.75 GSK3A (0.39) AKT1AKT2AKT3FECHCLK4
SCHEMBL4496736 0.75 LTK (0.48) MTORAKT1AKT2AKT3FECH
SCHEMBL4239492 0.74 PRMT5 (0.49) PRMT5WDR77PIK3CADYRK1AMET

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 9 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
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 PRMT5 1243/4885WDR77 916/4885PIK3CA 345/4885

“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.