SCHEMBL4679565

SCHEMBL4679565

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)NC(=NC#N)NCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MAPK14 Q16539 1/20 0.47
NAMPT P43490 4/20 0.46
ABCC9 O60706 6/20 0.45
KCNJ11 Q14654 6/20 0.45
ABCC8 Q09428 5/20 0.45
KCNJ8 Q15842 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
IRAK1 P51617 1/20 0.42
PRKX P51817 1/20 0.42
LIMK1 P53667 1/20 0.42
PRKG2 Q13237 1/20 0.42
ROCK1 Q13464 1/20 0.42
PRKG1 Q13976 1/20 0.42

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
SCHEMBL4679563 1.00 CYP3A4 (0.47) CYP3A4MAPK14NAMPTABCC9KCNJ11
SCHEMBL4682524 0.93 MEN1 (0.50) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4682519 0.93 MEN1 (0.50) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4682722 0.89 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4682724 0.89 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4682013 0.86 CTSB (0.46) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4682015 0.86 CTSB (0.46) ABCC9KCNJ11ABCC8KCNJ8MEN1
SCHEMBL4683924 0.84 LMNA (0.45) MAPK14ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4683921 0.84 LMNA (0.45) MAPK14ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL4678842 0.82 SMN1; SMN2 (0.46) ABCC9KCNJ11ABCC8KCNJ8MEN1

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 14 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
JP-2003506355-A 2003-02-18 JP claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO 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
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
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 CYP3A4 1563/4885MAPK14 3794/4885NAMPT 2857/4885

“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.