SCHEMBL6989283

SCHEMBL6989283

CC(C)(C)C(NC(=O)c1ccccc1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.51
ABCC8 Q09428 3/20 0.51
KCNJ11 Q14654 3/20 0.51
KCNJ8 Q15842 3/20 0.51
MAPKAPK2 P49137 2/20 0.51
NAMPT P43490 4/20 0.48
PLK1 P53350 4/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ROCK1 Q13464 3/20 0.43
AURKB Q96GD4 2/20 0.43
ROCK2 O75116 2/20 0.43
CHEK2 O96017 2/20 0.43
GSK3A P49840 2/20 0.43

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
SCHEMBL6983541 0.94 MAPKAPK2 (0.52) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL7555212 0.94 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6988178 0.92 NAMPT (0.52) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6985737 0.91 MAPKAPK2 (0.48) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6988075 0.91 MAPKAPK2 (0.47) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6991578 0.91 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6981921 0.91 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6982343 0.89 CYP1A2 (0.56) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6985809 0.89 ALDH1A1 (0.47) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2
SCHEMBL6987126 0.88 CYP1A2 (0.46) ABCC9ABCC8KCNJ11KCNJ8MAPKAPK2

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 ABCC9 1043/4885ABCC8 705/4885KCNJ11 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.