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SCHEMBL4241099

SCHEMBL4241099

CC(C)(C)OC(=O)NCCCn1c(=O)n2c(=O)n(C(=O)OC(C)(C)C)nc2c2cc3ccccc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ BRD4 O60885 9/20 0.42
▸ PLK1 P53350 3/20 0.41
▸ CAMK2D Q13557 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 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
SCHEMBL4511556 0.93 CNR2 (0.44) CNR2DYRK1ABRD4PLK1CAMK2D
SCHEMBL4005010 0.80 DYRK1A (0.46) CNR2DYRK1ABRD4PLK1CAMK2D
SCHEMBL4252017 0.72 GABRA1 (0.41) BRD4
SCHEMBL30987435 0.69 CNR2 (0.50) CNR2DYRK1ABRD4CAMK2DPIM1
SCHEMBL4929242 0.67 MTNR1A (0.60) CNR2DYRK1A
SCHEMBL5129060 0.67 DYRK1A (0.42) CNR2DYRK1ABRD4PLK1TDP1
SCHEMBL22605688 0.67 ADORA3 (0.55) CNR2CAMK2DTDP1PIM1PIM3
SCHEMBL15798230 0.66 DYRK1A (0.56) CNR2DYRK1APLK1CAMK2DTDP1
SCHEMBL1308888 0.66 PIM1 (0.49) CNR2BRD4TDP1PIM1PIM3
SCHEMBL23166612 0.65 CNR2 (0.57) CNR2DYRK1ABRD4TDP1PIM1

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 8 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
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 CNR2 3785/4885DYRK1A 560/4885BRD4 304/4885

“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.