SCHEMBL9983976

SCHEMBL9983976

O=[N+]([O-])c1ccc(NCc2ccncc2)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX12 P18054 1/20 0.57
PLK4 O00444 1/20 0.52
NTRK1 P04629 1/20 0.50
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
STAT6 P42226 2/20 0.45
JAK2 O60674 3/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9984342 0.89 NTRK1 (0.65) MAPTHTTPLK4NTRK1ALDH1A1
SCHEMBL9985073 0.82 BRD4 (0.42) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL9985560 0.82 EGFR (0.45) MAPTLMNA
SCHEMBL9983629 0.82 MAPT (0.50) MAPTHTTMAPK1TDP1MEN1
SCHEMBL9984173 0.81 MAPT (0.56) MAPTMAPK1TDP1MEN1KMT2A
SCHEMBL9984076 0.81 CYP1A2 (0.47) MAPTHTTMAPK1TDP1MEN1
SCHEMBL9984877 0.80 MAPT (0.44) MAPTHTTNTRK1MAPK1TDP1
SCHEMBL9983993 0.80 MAPT (0.54) MAPTHTTMAPK1TDP1MEN1
SCHEMBL9987468 0.79 MAPT (0.47) MAPTHTTMAPK1TDP1MEN1
SCHEMBL9984796 0.79 NPC1 (0.54) MAPTHTTMAPK1TDP1MEN1

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 MAPT 4055/4885HTT 4749/4885KDM4E 368/4885

“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.