Sugi Predict

Sugi Predict / Compounds / SCHEMBL6988709

SCHEMBL6988709

SCHEMBL6988709

CC(C)(C)C(NC(=O)c1cccc(-c2cccnc2)c1)Nc1c(Nc2cccnc2)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPKAPK2 P49137 2/20 0.44
▸ ABCC9 O60706 4/20 0.44
▸ KCNJ11 Q14654 4/20 0.44
▸ ABCC8 Q09428 2/20 0.44
▸ KCNJ8 Q15842 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ KMO O15229 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL6985737 0.95 MAPKAPK2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6985809 0.89 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6988075 0.89 MAPKAPK2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6982343 0.89 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6983541 0.89 MAPKAPK2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6984022 0.89 MAPKAPK2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6987126 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6984652 0.89 ABCC9 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6990891 0.89 MAPKAPK2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2
SCHEMBL6989026 0.89 ABCC9 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPKAPK2

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 CYP1A2 688/4885CYP3A4 1236/4885CYP2C9 2604/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CYP1A2 688/4885CYP3A4 1236/4885CYP2C9 2604/4885

“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.