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SCHEMBL4252017

SCHEMBL4252017

CC(C)(C)OC(=O)n1nc2c3cc4ccccc4cc3[nH]c(=O)n2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ LMNA P02545 1/20 0.39
▸ RET P07949 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GABRA5 P31644 2/20 0.36
▸ POLR1A O95602 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SCN3A Q9NY46 2/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ SCN4A P35499 1/20 0.35
▸ NR1H2 P55055 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL13920089 0.86 HAVCR2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4243936 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4004504 0.74 CHEK1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4241099 0.72 CNR2 (0.44) BRD4
SCHEMBL4249802 0.67 PDE3B (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7651163 0.64 LMNA (0.44) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13825172 0.63 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10MAP2K4
SCHEMBL17389128 0.63 GPR139 (0.41) MAP2K4CKS1BSKP1SKP2
SCHEMBL13825054 0.62 CKS1B (0.34) KDM4EALDH1A1MAP2K4NR1H2CKS1B
SCHEMBL21431482 0.62 CYP11B2 (0.44) LMNAKDM4EALDH1A1HSD17B10CYP11B2

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
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 GABRA1 4335/4885GABRG2 3887/4885GABRB3 4228/4885

“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.