SCHEMBL995459

SCHEMBL995459

CCCNc1nc(N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
PDE5A O76074 1/20 0.41
TLR7 Q9NYK1 3/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNC P24863 1/20 0.38
HTT P42858 1/20 0.38
CDK8 P49336 1/20 0.38
LATS1 O95835 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
LATS2 Q9NRM7 1/20 0.38
MAPT P10636 1/20 0.37
SLC2A1 P11166 1/20 0.36
MERTK Q12866 1/20 0.35
TLR8 Q9NR97 4/20 0.35
LCK P06239 1/20 0.35
S1PR2 O95136 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
SCHEMBL30899679 0.85 APP (0.47) APPPDE5ATLR7ALDH1A1KDM4E
SCHEMBL12046243 0.79 APP (0.45) APPPDE5ATLR7ALDH1A1KDM4E
SCHEMBL23181666 0.79 APP (0.45) APPPDE5ATLR7ALDH1A1KDM4E
SCHEMBL14099640 0.72 ALDH1A1 (0.59) APPPDE5ATLR7ALDH1A1KDM4E
SCHEMBL963638 0.71 KCNQ3 (0.48) APPTLR7ALDH1A1KDM4EHPGD
SCHEMBL24693427 0.71 KDM4E (0.41) APPALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30657526 0.69 PGK1 (0.39) LMNA
SCHEMBL1978195 0.69 PGK1 (0.39) LMNA
SCHEMBL15060834 0.68 TLR7 (0.39) APPTLR7KDM4EMAPTLMNA
SCHEMBL11361897 0.68 PLAU (0.43) ALDH1A1KDM4EHPGDHSD17B10HTT

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
US-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US claimed
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US claimed
EP-2231609-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP claimed
WO-2009074594-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO claimed
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
EP-2231609-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
EP-2231609-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074594-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed
WO-2009074594-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 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 (2 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-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 APP 580/4885PDE5A 814/4885TLR7 517/4885
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 APP 439/4885PDE5A 807/4885TLR7 544/4885

“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.