SCHEMBL9893434

SCHEMBL9893434

CCN1C(=O)CC(=O)N(C)c2cc(O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
DYRK3 O43781 1/20 0.38
CSNK1E P49674 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
OPRK1 P41145 1/20 0.36
PDE4D Q08499 1/20 0.36
BMPR1B O00238 2/20 0.35
BMPR1A P36894 2/20 0.35
ACVRL1 P37023 2/20 0.35

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
SCHEMBL10746213 0.80 BRD4 (0.45) BRD4ATAD2DYRK3CSNK1ECLK1
SCHEMBL9665333 0.80 BRD4 (0.55) BRD4ATAD2DYRK3CSNK1ECLK1
SCHEMBL3520208 0.79 LMNA (0.49) BRD4CSNK1ECLK1CLK2CLK3
SCHEMBL9893429 0.75 MEN1 (0.44) ALDH1A1
SCHEMBL3516991 0.75 CNR1 (0.42) DYRK3CSNK1ECLK1CLK2CLK3
SCHEMBL11032224 0.74 DRD2 (0.44) ALDH1A1GAABMPR1BBMPR1AACVRL1
SCHEMBL31104373 0.74 DRD2 (0.44) ALDH1A1GAABMPR1BBMPR1AACVRL1
SCHEMBL8287657 0.74 PKM (0.49) ALDH1A1GAABMPR1BBMPR1AACVRL1
SCHEMBL30667271 0.74 PKM (0.49) ALDH1A1GAABMPR1BBMPR1AACVRL1
SCHEMBL3517449 0.74 ALDH1A1 (0.42) DYRK3CSNK1ECLK1CLK2CLK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940889-B2 Process for producing benzo [b] [1,4] diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-8796447-B2 Process for producing benzo[B][1,4]diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-10 US disclosed
EP-2468733-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-14 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 (2 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-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND KCNH1, KCNB2, KCNJ2 BRD4 144/4885ATAD2 2125/4885DYRK3 3029/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 BRD4 137/4885ATAD2 2015/4885DYRK3 2925/4885

“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.