SCHEMBL4684953

SCHEMBL4684953

Cc1ccccc1C(=O)NC(N/C(=N/C#N)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.47
KCNJ11 Q14654 12/20 0.47
ABCC8 Q09428 8/20 0.47
KCNJ8 Q15842 8/20 0.47
TSHR P16473 1/20 0.43
BRAF P15056 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NOTUM Q6P988 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B2 P19099 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41

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
SCHEMBL4684962 1.00 ABCC9 (0.47) ABCC9KCNJ11ABCC8KCNJ8TSHR
SCHEMBL7251811 0.93 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8TSHR
SCHEMBL4685258 0.91 MEN1 (0.48) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL4685256 0.91 MEN1 (0.48) ABCC9KCNJ11ABCC8KCNJ8KDM4E
SCHEMBL4678874 0.85 KCNJ11 (0.61) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4679042 0.85 KCNJ11 (0.61) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4680203 0.83 KCNJ11 (0.63) ABCC9KCNJ11ABCC8KCNJ8BRAF
SCHEMBL4680207 0.83 KCNJ11 (0.63) ABCC9KCNJ11ABCC8KCNJ8BRAF
SCHEMBL4682408 0.83 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B2
SCHEMBL4683442 0.83 KCNJ11 (0.56) ABCC9KCNJ11ABCC8KCNJ8CYP11B2

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 9 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
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
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 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
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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 (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 ABCC9 359/4885KCNJ11 2/4885ABCC8 451/4885

“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.