SCHEMBL5215310

SCHEMBL5215310

CCc1ncccc1NC(=NC#N)NC(NC(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 15/20 0.51
P2RX7 Q99572 5/20 0.51
ABCC9 O60706 9/20 0.46
ABCC8 Q09428 7/20 0.46
KCNJ8 Q15842 7/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5215306 1.00 KCNJ11 (0.51) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL6403143 0.88 P2RX7 (0.56) KCNJ11P2RX7
SCHEMBL6403147 0.88 P2RX7 (0.56) KCNJ11P2RX7
SCHEMBL5213466 0.87 KCNJ11 (0.52) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL5213464 0.87 KCNJ11 (0.52) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL5215775 0.83 KCNJ11 (0.48) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL6640615 0.83 KCNJ11 (0.45) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL5215781 0.83 KCNJ11 (0.48) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL4677755 0.83 KCNJ11 (0.67) KCNJ11P2RX7ABCC9ABCC8KCNJ8
SCHEMBL4682771 0.83 KCNJ11 (0.67) KCNJ11P2RX7ABCC9ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 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
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 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
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO 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 KCNJ11 2/4885P2RX7 367/4885ABCC9 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.