SCHEMBL9983642

SCHEMBL9983642

Nc1ccc(Nc2nc(N3CCC(O)CC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PLK1 P53350 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SYK P43405 2/20 0.38
JAK2 O60674 2/20 0.38
SMPD3 Q9NY59 1/20 0.38
BTK Q06187 4/20 0.37
KCNH2 Q12809 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL9985002 0.90 PLK1 (0.44) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9983923 0.90 MAPT (0.43) GSK3AGSK3BMAPTALDH1A1MAPK1
SCHEMBL9985062 0.88 GSK3A (0.44) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9983672 0.87 PLK1 (0.48) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9984951 0.87 PLK1 (0.42) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9984384 0.87 MAPT (0.43) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9984089 0.86 MAPT (0.51) PLK1MAPTALDH1A1MAPK1POLB
SCHEMBL9984698 0.85 MAPT (0.41) GSK3AGSK3BPLK1MAPTALDH1A1
SCHEMBL9983811 0.84 HPGD (0.48) PLK1MAPTALDH1A1MAPK1POLB
SCHEMBL9984130 0.84 MAPT (0.49) GSK3AGSK3BMAPTALDH1A1MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 GSK3A 2983/4885GSK3B 2610/4885PLK1 4340/4885

“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.