SCHEMBL6986346

SCHEMBL6986346

CC(C)(Cc1ccccc1)C(NC(=O)c1cc(F)cc(F)c1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.45
ABCC9 O60706 3/20 0.42
KCNJ11 Q14654 3/20 0.42
ABCC8 Q09428 2/20 0.42
KCNJ8 Q15842 2/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LRRK2 Q5S007 3/20 0.39
CYP1A2 P05177 1/20 0.38
TBXA2R P21731 1/20 0.37
TBXAS1 P24557 1/20 0.37
LMNA P02545 1/20 0.37
GPR132 Q9UNW8 1/20 0.37
SGMS2 Q8NHU3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6987656 0.91 MAPKAPK2 (0.49) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7554249 0.90 MAPKAPK2 (0.52) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6989499 0.90 MAPKAPK2 (0.45) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7555228 0.89 MAPKAPK2 (0.45) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6987810 0.87 ABCC9 (0.47) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6985065 0.87 CYP3A4 (0.49) MAPKAPK2ABCC9KCNJ11CYP3A4CYP2C9
SCHEMBL6991614 0.87 ABCC9 (0.52) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6983717 0.86 MAPKAPK2 (0.46) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6984672 0.86 KCNJ11 (0.53) MAPKAPK2ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7166445 0.82 MAPKAPK2 (0.41) MAPKAPK2CYP3A4CYP2C9TBXA2RTBXAS1

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
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
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 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 MAPKAPK2 2283/4885ABCC9 1043/4885KCNJ11 2/4885

“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.