SCHEMBL4679717

SCHEMBL4679717

N#C/N=C(/N)Nc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
HIF1A Q16665 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ABCC9 O60706 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL2801168 1.00 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL2801166 1.00 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL5216512 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL5216516 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL7898824 0.81 LMNA (0.53) LMNACYP11B1CYP11B2GAATP53
SCHEMBL160935 0.80 MDM2 (0.44) LMNAGAAHIF1AKMT2AMEN1
SCHEMBL15366862 0.80 MDM2 (0.44) LMNAGAAHIF1AKMT2AMEN1
SCHEMBL11156357 0.79 RAB9A (0.57) LMNACYP11B1CYP11B2GAATP53
SCHEMBL11232538 0.79 GRIN2D (0.55) LMNAGAATP53RAB9ANPC1
SCHEMBL15094415 0.79 GRIN2D (0.55) LMNAGAATP53RAB9ANPC1

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 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
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 LMNA 715/4885CYP11B1 610/4885CYP11B2 851/4885

“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.