SCHEMBL4680233

SCHEMBL4680233

COc1ncccc1N/C(=N\C#N)NC(NC(=O)c1cc(F)cc(F)c1)C(C)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.58
KCNJ11 Q14654 12/20 0.54
ABCC9 O60706 2/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ8 Q15842 1/20 0.46

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
SCHEMBL4680236 1.00 P2RX7 (0.58) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL6406446 0.91 P2RX7 (0.69) P2RX7KCNJ11
SCHEMBL6406444 0.91 P2RX7 (0.69) P2RX7KCNJ11
SCHEMBL4679952 0.91 KCNJ11 (0.59) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4679954 0.91 KCNJ11 (0.59) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4682445 0.88 KCNJ11 (0.69) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4682449 0.88 KCNJ11 (0.69) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4685946 0.87 KCNJ11 (0.57) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4685949 0.87 KCNJ11 (0.57) P2RX7KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4682887 0.81 KCNJ11 (0.68) KCNJ11ABCC9ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP claimed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US 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 (1 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 P2RX7 367/4885KCNJ11 2/4885ABCC9 359/4885

“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.