SCHEMBL964700

SCHEMBL964700

CN(C)c1nc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.39
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
BACE1 P56817 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
NCF1 P14598 2/20 0.33
NCK1 P16333 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 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
SCHEMBL15650884 0.79 NOS1 (0.54) NOS1NOS2NOS3CLK4BACE1
SCHEMBL13209499 0.79 NOS3 (0.38) NOS1NOS2NOS3CHEK1NEK2
SCHEMBL995460 0.79 NOS1 (0.34) NOS1NOS2NOS3TP53KDM4E
SCHEMBL31710095 0.77 BACE1 (0.39) NOS1NOS2NOS3BACE1TP53
SCHEMBL957352 0.76 S100B (0.41) NOS1NOS2NOS3BACE1KDM4E
SCHEMBL18753138 0.74 MCHR1 (0.46) NOS1NOS2NOS3TP53KDM4E
SCHEMBL2268818 0.74 NNMT (0.37) NOS1TP53KDM4ETSHRNPC1
SCHEMBL13209508 0.73
SCHEMBL13209498 0.71 PIM1 (0.39) KDM4ETSHRLMNAGAAHTT
SCHEMBL31193319 0.70 ADORA2B (0.42) CLK4NPC1LMNARAB9A

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-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US claimed
EP-2231610-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP claimed
WO-2009074591-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO claimed
US-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
US-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US disclosed
EP-2231610-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
EP-2231610-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074591-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 WO disclosed
WO-2009074591-A1 NOVEL 2-DIMETHYLAMINO-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-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNN3 NOS1 2771/4885NOS2 2594/4885NOS3 1881/4885

“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.