SCHEMBL937812

SCHEMBL937812

Cc1ccc(F)cc1CNc1ccc([N+](=O)[O-])c(N(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 4/20 0.46
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 2/20 0.36
PRKCQ Q04759 3/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL939542 0.82 HTR6 (0.44) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL940994 0.80 DHFR (0.37) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL938907 0.75 KCNQ2 (0.38) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL966209 0.73 CYP1A2 (0.43) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL8043088 0.72 MAPK14 (0.35) SCN1ASCN5ASCN8ANPC1RAB9A
SCHEMBL959701 0.71 CYP1A2 (0.44) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL23144880 0.70 MAPT (0.69) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL13262511 0.66 ATM (0.55) MAPTALDH1A1MAPK1TDP1ATM
SCHEMBL14938710 0.66 CTSB (0.49) MAPTALDH1A1TDP1L3MBTL1SMN1; SMN2
SCHEMBL23144805 0.65 MAPT (0.73) MAPTALDH1A1MAPK1TDP1MEN1

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 3 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 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

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 MAPT 1962/4885ALDH1A1 3676/4885MAPK1 1970/4885

“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.