SCHEMBL6991098

SCHEMBL6991098

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)Nc1c(Nc2ccncc2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.54
ROCK1 Q13464 5/20 0.54
CSNK1G1 Q9HCP0 4/20 0.54
CHEK2 O96017 4/20 0.54
CDC42BPA Q5VT25 4/20 0.54
CHEK1 O14757 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
CSNK1G2 P78368 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
CSNK1G3 Q9Y6M4 3/20 0.54
ROCK2 O75116 3/20 0.54
PRKX P51817 2/20 0.54
PKN2 Q16513 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
STK17A Q9UEE5 2/20 0.54
DAPK3 O43293 2/20 0.54
PIM1 P11309 2/20 0.54
PLK3 Q9H4B4 2/20 0.54
CDC7 O00311 1/20 0.54

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
SCHEMBL6981921 0.87 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6989878 0.87 MAPT (0.50) PLK1ROCK1CSNK1G1CHEK2CDC42BPA
SCHEMBL6988322 0.84 KCNQ3 (0.50) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6989035 0.82 KCNJ11 (0.46) PLK1ROCK1CSNK1G1CHEK2CDC42BPA
SCHEMBL6989329 0.82 LMNA (0.50) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7555212 0.81 ABCC9 (0.51) PLK1ROCK1CSNK1G1CHEK2CDC42BPA
SCHEMBL6985929 0.81 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6986808 0.81 RAB9A (0.51) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6983908 0.81 ABCC9 (0.44) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6989346 0.80 KCNJ11 (0.50) ABCC9ABCC8KCNJ11KCNJ8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 PLK1 3535/4885ROCK1 4232/4885CSNK1G1 2695/4885

“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.