SCHEMBL9984263

SCHEMBL9984263

COc1ccc(Nc2nc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
PLK1 P53350 2/20 0.46
SIRT6 Q8N6T7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
IDO1 P14902 1/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 5/20 0.44
AURKA O14965 1/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL9984277 0.88 MAPT (0.56) ALDH1A1IDO1GAAKMT2AMEN1
SCHEMBL9984106 0.88 SRC (0.48) ALDH1A1IDO1GAAHTTKMT2A
SCHEMBL9984675 0.87 MAPT (0.48) HTR6PLK1ALDH1A1IDO1MAPT
SCHEMBL9983811 0.87 HPGD (0.48) HTR6PLK1SIRT6ALDH1A1MAPT
SCHEMBL9984827 0.86 IDO1 (0.45) ALDH1A1IDO1GAAHTTKMT2A
SCHEMBL9983672 0.86 PLK1 (0.48) PLK1ALDH1A1IDO1GAAHTT
SCHEMBL9984357 0.84 MAPT (0.45) HTR6PLK1SIRT6ALDH1A1MAPT
SCHEMBL9984567 0.81 AURKA (0.46) HTR6SIRT6ALDH1A1MAPTAURKA
SCHEMBL9985617 0.80 MAPT (0.44) ALDH1A1IDO1GAAHTTKMT2A
SCHEMBL9983989 0.79 L3MBTL1 (0.54) HTR6SIRT6ALDH1A1HTTMAPT

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 HTR6 2720/4885PLK1 4340/4885SIRT6 30/4885

“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.