SCHEMBL4684012

SCHEMBL4684012

N#C/N=C(/N)Nc1ccc(F)nc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNJ11 Q14654 9/20 0.37
BACE1 P56817 1/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
ADRB1 P08588 2/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL4684016 1.00 KCNQ3 (0.41) KCNQ3KCNQ2KCNJ11BACE1JAK2
SCHEMBL4683461 0.81 KCNQ3 (0.44) KCNQ3KCNQ2BACE1
SCHEMBL4683458 0.81 KCNQ3 (0.44) KCNQ3KCNQ2BACE1
SCHEMBL4683574 0.81 USP30 (0.43) KCNJ11JAK2JAK1AR
SCHEMBL4683571 0.81 USP30 (0.43) KCNJ11JAK2JAK1AR
SCHEMBL4678738 0.78 KMT2A (0.49)
SCHEMBL4678743 0.78 KMT2A (0.49)
SCHEMBL19834756 0.74 ADRB1 (0.37) KCNQ3KCNQ2KCNJ11ADRB1
SCHEMBL19834757 0.74 ADRB1 (0.37) KCNQ3KCNQ2KCNJ11ADRB1
SCHEMBL4679717 0.73 LMNA (0.53) KCNJ11

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-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 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 KCNQ3 25/4885KCNQ2 15/4885KCNJ11 2/4885

“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.