SCHEMBL9984342

SCHEMBL9984342

O=[N+]([O-])c1ccc(NCc2cccnc2)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.65
PLK4 O00444 1/20 0.53
MAPT P10636 10/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
HTR6 P50406 2/20 0.52
HTT P42858 1/20 0.52
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
NAMPT P43490 2/20 0.49
STAT6 P42226 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9983976 0.89 MAPT (0.57) NTRK1PLK4MAPTALDH1A1HTT
SCHEMBL9985382 0.84 EGFR (0.48) NTRK1MAPTALDH1A1GAAHTR6
SCHEMBL9984038 0.81 PLK1 (0.50) NTRK1MAPTALDH1A1GAAHTR6
SCHEMBL9983629 0.79 MAPT (0.50) MAPTALDH1A1HTTPKMPOLB
SCHEMBL9984173 0.79 MAPT (0.56) MAPTALDH1A1PKMPOLBSTAT6
SCHEMBL9984469 0.78 ALDH1A1 (0.47) MAPTALDH1A1GAAHTR6HTT
SCHEMBL9985328 0.77 MAPT (0.44) NTRK1MAPTALDH1A1GAAHTR6
SCHEMBL9984877 0.77 MAPT (0.44) NTRK1MAPTALDH1A1HTTPOLB
SCHEMBL9983993 0.77 MAPT (0.54) MAPTALDH1A1HTTPKMSTAT6
SCHEMBL9984344 0.77 STAT6 (0.46) MAPTHTTSTAT6

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 NTRK1 4076/4885PLK4 4357/4885MAPT 4055/4885

“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.