SCHEMBL9984752

SCHEMBL9984752

CC(C)c1nc(-c2ccc(Nc3nc(N4CCC(O)CC4)ccc3[N+](=O)[O-])cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.36
SPHK2 Q9NRA0 6/20 0.36
SPHK1 Q9NYA1 6/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TACR2 P21452 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
VCP P55072 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
SCHEMBL9984349 0.91 IDH1 (0.35) PLK1IRAK4LMNANPC1RAB9A
SCHEMBL9983969 0.89 HRH4 (0.39) PLK1NPC1RAB9APOLBMEN1
SCHEMBL9984195 0.89 RAB9A (0.46) PLK1SPHK2SPHK1GSK3AGSK3B
SCHEMBL9984350 0.84 ALDH1A1 (0.39) PLK1SPHK2SPHK1GSK3AGSK3B
SCHEMBL9984603 0.83 PLK1 (0.40) PLK1SPHK2SPHK1RAB9AMAPT
SCHEMBL9985002 0.80 PLK1 (0.44) PLK1GSK3AGSK3BLMNANPC1
SCHEMBL9984276 0.80 RAB9A (0.44) LMNANPC1RAB9APOLBMEN1
SCHEMBL9984450 0.79 PLK1 (0.32) PLK1JAK3LMNANPC1RAB9A
SCHEMBL9983642 0.79 GSK3A (0.43) PLK1GSK3AGSK3BJAK2JAK3
SCHEMBL9984226 0.79 MAPT (0.44) LMNANPC1RAB9AMEN1KMT2A

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 PLK1 4340/4885IRAK4 767/4885SPHK2 905/4885

“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.