Sugi Predict

Sugi Predict / Compounds / SCHEMBL6989333

SCHEMBL6989333

SCHEMBL6989333

Cc1ncccc1Nc1c(NC(NC(=O)c2cc(F)cc(F)c2)C(C)(C)C)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 8/20 0.39
▸ P2RX7 Q99572 3/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CXCR1 P25024 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL6983497 0.89 POLB (0.41) CXCR2P2RX7MEN1KMT2AABCC9
SCHEMBL6991618 0.88 P2RX7 (0.40) CXCR2P2RX7KCNJ11
SCHEMBL6990875 0.82 PLK1 (0.36) CXCR2MEN1KMT2AMAPKAPK2ABCC9
SCHEMBL6986478 0.82 KMT2A (0.43) CXCR2KMT2ACXCR1MAPKAPK2ABCC9
SCHEMBL6987810 0.81 ABCC9 (0.47) MEN1KMT2AMAPKAPK2ABCC9ABCC8
SCHEMBL4256399 0.79 POLB (0.42) P2RX7MEN1KMT2AABCC9ABCC8
SCHEMBL7559791 0.79 POLB (0.42) P2RX7MEN1KMT2AABCC9ABCC8
SCHEMBL4256402 0.79 POLB (0.42) P2RX7MEN1KMT2AABCC9ABCC8
SCHEMBL6989221 0.78 KCNJ11 (0.45) P2RX7MEN1KMT2AABCC9ABCC8
SCHEMBL6985552 0.78 GAA (0.35) CXCR2MAPKAPK2ABCC9ABCC8KCNJ11

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 CXCR2 4840/4885P2RX7 782/4885MEN1 773/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CXCR2 4840/4885P2RX7 782/4885MEN1 773/4885

“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.