SCHEMBL9983774

SCHEMBL9983774

Cc1nccn1-c1ccc([N+](=O)[O-])c(Nc2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ROCK1 Q13464 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SYK P43405 1/20 0.38
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 2/20 0.37
PIN1 Q13526 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9984121 0.87 ROCK1 (0.38) ALDH1A1ROCK1ABCG2MAPTNPC1
SCHEMBL9985786 0.79 HSF1 (0.62) KDRROCK1MAPTSYKEGFR
SCHEMBL9983989 0.77 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1EGFR
SCHEMBL9984107 0.74 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9985385 0.74 MAPT (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9984304 0.74 MEN1 (0.41) ALDH1A1ROCK1ABCG2MAPTSMN1; SMN2
SCHEMBL9984223 0.74 HSF1 (0.60) ALDH1A1KDM4EROCK1ABCG2MAPT
SCHEMBL9984933 0.74 BRD4 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9985062 0.74 GSK3A (0.44) ALDH1A1ABCG2MAPTSMN1; SMN2GSK3B
SCHEMBL9984889 0.74 FGFR4 (0.49) ALDH1A1KDM4EROCK1ABCG2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDR 3199/4885ALDH1A1 2401/4885KDM4E 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.