SCHEMBL957352

SCHEMBL957352

CCN(CC)c1nc(N)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
PGK1 P00558 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
PSMD14 O00487 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ACP1 P24666 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL995460 0.82 NOS1 (0.34) S100BPGK1TSHRHTTNOS1
SCHEMBL2274817 0.77 TAAR1 (0.38) S100BPGK1ALDH1A1L3MBTL1TSHR
SCHEMBL964700 0.76 NOS1 (0.39) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL20883326 0.69 ALDH1A1 (0.38) S100BPGK1ALDH1A1L3MBTL1TSHR
SCHEMBL10399629 0.67 GABRP (0.55) ALDH1A1CYP3A4TDP1NOS1NOS3
SCHEMBL2252055 0.67 NOS3 (0.45) S100BALDH1A1L3MBTL1TSHRPSMD14
SCHEMBL20000502 0.67 MAPT (0.43) S100BALDH1A1L3MBTL1TSHRPSMD14
SCHEMBL5157408 0.67 SLC29A1 (0.40) S100BALDH1A1HTTMAPTKMT2A
SCHEMBL5157784 0.67 KDM4E (0.40) ALDH1A1TDP1HTTMAPTKMT2A
SCHEMBL8493024 0.65 S100B (0.44) S100BPGK1ALDH1A1L3MBTL1TSHR

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
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
EP-2231608-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP claimed
WO-2009074592-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO claimed
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 disclosed
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 disclosed
EP-2231608-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
EP-2231608-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074592-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed
WO-2009074592-A1 NOVEL 2-DIETHYLAMINO-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 (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-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 S100B 4271/4885PGK1 1661/4885ALDH1A1 3547/4885

“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.