SCHEMBL995460

SCHEMBL995460

CCN(C)c1nc(N)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.34
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
LATS1 O95835 1/20 0.33

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
SCHEMBL957352 0.82 S100B (0.41) NOS1NOS3NOS2GABRPGABRD
SCHEMBL964700 0.79 NOS1 (0.39) NOS1NOS3NOS2GABRPGABRD
SCHEMBL19780637 0.71 NOS3 (0.36) NOS1NOS3NOS2LATS1LATS2
SCHEMBL10144707 0.68 HRH3 (0.41) NOS1NOS3NOS2HRH3KDM4E
SCHEMBL7871474 0.67 PIK3CD (0.38) NOS1NOS2S100BADRA2AADRA2B
SCHEMBL10399629 0.66 GABRP (0.55) NOS1NOS3NOS2GABRPGABRD
SCHEMBL11637107 0.65 PIK3CD (0.36) ADRA2AADRA2BADRA2CHRH3KDM4E
SCHEMBL5157820 0.65 DRD2 (0.38) KDM4ELMNAGAA
SCHEMBL15650364 0.64 NOS3 (0.43) NOS1NOS3NOS2GABRPGABRD
SCHEMBL15650884 0.64 NOS1 (0.54) NOS1NOS3NOS2GABRPGABRD

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 NOS1 3162/4885NOS3 2312/4885NOS2 3009/4885
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 NOS1 2286/4885NOS3 1412/4885NOS2 1968/4885

“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.