SCHEMBL6988947

SCHEMBL6988947

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPKAPK2 P49137 3/20 0.42
ECE1 P42892 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
AURKB Q96GD4 3/20 0.41
ROCK1 Q13464 3/20 0.41
CSNK1G1 Q9HCP0 3/20 0.41
PDGFRA P16234 2/20 0.41
MAPK1 P28482 2/20 0.41
RPS6KA1 Q15418 2/20 0.41
ROCK2 O75116 2/20 0.41
CHEK2 O96017 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41

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
SCHEMBL6989669 0.90 CYP3A4 (0.45) PLK1MAPKAPK2CYP3A4CYP2C9AURKB
SCHEMBL6988051 0.87 NOTUM (0.54) PLK1MAPKAPK2MAPK1LMNA
SCHEMBL6991611 0.87 ALDH1A1 (0.41) PLK1MAPKAPK2CYP3A4CYP2C9ROCK1
SCHEMBL6989283 0.84 ABCC9 (0.51) PLK1MEN1KMT2AGAAMAPKAPK2
SCHEMBL6984683 0.82 PLK1 (0.44) PLK1KMT2AMAPKAPK2CYP3A4CYP2C9
SCHEMBL6990889 0.82 NOTUM (0.50) MEN1KMT2ANPSR1GAAMAPT
SCHEMBL7092751 0.82 CYP3A4 (0.43) PLK1MAPKAPK2CYP3A4CYP2C9AURKB
SCHEMBL6983541 0.81 MAPKAPK2 (0.52) PLK1MEN1KMT2AMAPKAPK2CYP3A4
SCHEMBL7556729 0.81 LMNA (0.52) PLK1MEN1KMT2ANPSR1MAPT
SCHEMBL7555212 0.80 ABCC9 (0.51) PLK1MEN1KMT2AMAPKAPK2CYP3A4

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 PLK1 3535/4885MEN1 773/4885KMT2A 1875/4885

“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.