SCHEMBL6989887

SCHEMBL6989887

CC(C)(C)C(NC(=O)c1ccccn1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.47
GAA P10253 1/20 0.44
MAPKAPK2 P49137 3/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PLK1 P53350 5/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
ROCK1 Q13464 3/20 0.40
CHEK1 O14757 2/20 0.40
ROCK2 O75116 2/20 0.40
CHEK2 O96017 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 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
SCHEMBL6989283 0.86 ABCC9 (0.51) GAAMAPKAPK2ABCC9ABCC8KCNJ11
SCHEMBL6983541 0.85 MAPKAPK2 (0.52) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7555212 0.84 ABCC9 (0.51) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6981921 0.84 ABCC9 (0.64) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6990454 0.83 ABCC9 (0.52) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6988178 0.82 NAMPT (0.52) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6991578 0.82 ABCC9 (0.51) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6987212 0.81 NPC1 (0.41) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6984652 0.81 ABCC9 (0.51) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6987810 0.81 ABCC9 (0.47) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8

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-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
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US claimed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US 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
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 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 (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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 GFER 774/4885GAA 2105/4885MAPKAPK2 2283/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 GFER 774/4885GAA 2105/4885MAPKAPK2 2283/4885

“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.