SCHEMBL6990875

SCHEMBL6990875

Cc1ccncc1Nc1c(NC(NC(=O)c2cc(F)cc(F)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
CHEK1 O14757 2/20 0.36
ROCK2 O75116 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKCZ Q05513 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CSNK1G1 Q9HCP0 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
SCHEMBL6985552 0.88 GAA (0.35) PLK1CHEK1ROCK2CDC7PLK4
SCHEMBL6987810 0.83 ABCC9 (0.47) PLK1CHEK1ROCK2CDC7PLK4
SCHEMBL6989333 0.82 CXCR2 (0.39) PLK1MAPKAPK2ABCC9ABCC8KCNJ11
SCHEMBL4366799 0.82 MAPKAPK2 (0.42) PLK1CHEK1ROCK2CDC7PLK4
SCHEMBL4371299 0.81 PLK1 (0.37) PLK1CHEK1ROCK2CDC7PLK4
SCHEMBL6983497 0.80 POLB (0.41) ABCC9ABCC8KCNJ11KCNJ8CXCR2
SCHEMBL6991618 0.78 P2RX7 (0.40) KCNJ11CXCR2
SCHEMBL6984672 0.77 KCNJ11 (0.53) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6989026 0.76 ABCC9 (0.49) MAPKAPK2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6989259 0.74 ALDH1A1 (0.46) GSK3AGSK3BMAPKAPK2ABCC9ABCC8

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 5 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 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 PLK1 3535/4885CHEK1 3330/4885ROCK2 4816/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 PLK1 3535/4885CHEK1 3330/4885ROCK2 4816/4885

“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.