Sugi Predict

Sugi Predict / Compounds / SCHEMBL6991618

SCHEMBL6991618

SCHEMBL6991618

COc1ncccc1Nc1c(NC(NC(=O)c2cc(F)cc(F)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.40
▸ CXCR2 P25025 7/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ TYK2 P29597 3/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL6989333 0.88 CXCR2 (0.39) P2RX7CXCR2KCNJ11
SCHEMBL6983497 0.87 POLB (0.41) P2RX7CXCR2KCNJ11
SCHEMBL6990462 0.86 KMT2A (0.42) P2RX7LRRK2GAAKCNJ11SCN5A
SCHEMBL6989346 0.86 KCNJ11 (0.50) P2RX7GAAKCNJ11
SCHEMBL6987149 0.85 MEN1 (0.41) P2RX7LRRK2GAAKCNJ11SCN5A
SCHEMBL6985552 0.81 GAA (0.35) CXCR2GAAKCNJ11
SCHEMBL6986478 0.80 KMT2A (0.43) CXCR2KCNJ11
SCHEMBL6987810 0.79 ABCC9 (0.47) KCNJ11
SCHEMBL6991619 0.79 TYK2 (0.37) P2RX7LRRK2TYK2SLC22A12SCN5A
SCHEMBL6990875 0.78 PLK1 (0.36) CXCR2KCNJ11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 P2RX7 782/4885CXCR2 4840/4885LRRK2 3592/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 P2RX7 782/4885CXCR2 4840/4885LRRK2 3592/4885

“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.