Sugi Predict

Sugi Predict / Compounds / SCHEMBL6985552

SCHEMBL6985552

SCHEMBL6985552

COc1ccncc1Nc1c(NC(NC(=O)c2cc(F)cc(F)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ PLK1 P53350 5/20 0.35
▸ GSK3A P49840 3/20 0.35
▸ CHEK1 O14757 3/20 0.35
▸ ROCK2 O75116 3/20 0.35
▸ ROCK1 Q13464 3/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PLK4 O00444 2/20 0.35
▸ DAPK3 O43293 2/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ CDC42BPA Q5VT25 2/20 0.35
▸ PLK3 Q9H4B4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MAPKAPK2 P49137 2/20 0.35
▸ ATR Q13535 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CSF1R P07333 1/20 0.35

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
SCHEMBL6990875 0.88 PLK1 (0.36) PLK1GSK3ACHEK1ROCK2ROCK1
SCHEMBL6991618 0.81 P2RX7 (0.40) GAACXCR2KCNJ11
SCHEMBL6987810 0.81 ABCC9 (0.47) PLK1GSK3ACHEK1ROCK2ROCK1
SCHEMBL4366799 0.80 MAPKAPK2 (0.42) PLK1GSK3ACHEK1ROCK2ROCK1
SCHEMBL6985556 0.79 KCNA3 (0.36) GAAGSK3AROCK1GSK3BCDC42BPA
SCHEMBL4371299 0.78 PLK1 (0.37) PLK1GSK3ACHEK1ROCK2ROCK1
SCHEMBL6989333 0.78 CXCR2 (0.39) PLK1MAPKAPK2SMN1; SMN2CXCR2ABCC9
SCHEMBL6983497 0.77 POLB (0.41) MAPK1NPC1RAB9ASMN1; SMN2CXCR2
SCHEMBL6984672 0.74 KCNJ11 (0.53) MAPKAPK2NPC1RAB9AABCC9ABCC8
SCHEMBL6990275 0.74 LMNA (0.57) GAAPLK1GSK3ACHEK1ROCK2

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 GAA 2105/4885PLK1 3535/4885GSK3A 4625/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 GAA 2105/4885PLK1 3535/4885GSK3A 4625/4885

“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.