SCHEMBL9985473

SCHEMBL9985473

CC1(C)CN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC(C)(C)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.62
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAOB P27338 1/20 0.45
NOS1 P29475 1/20 0.45
ROCK2 O75116 11/20 0.42
ROCK1 Q13464 6/20 0.42
MKNK1 Q9BUB5 3/20 0.40
EGFR P00533 3/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL6793338 0.85 HSF1 (0.64) HSF1ROCK2ROCK1EGFRCHEK1
SCHEMBL6789036 0.83 HSF1 (0.62) HSF1ROCK2ROCK1
SCHEMBL9985436 0.83 HSF1 (0.62) HSF1ROCK2ROCK1CCR2
SCHEMBL9984487 0.81 HSF1 (0.59) HSF1POLBROCK2ROCK1MKNK1
SCHEMBL6787562 0.81 HSF1 (0.59) HSF1POLBROCK2ROCK1EGFR
SCHEMBL9985204 0.80 HSF1 (0.57) HSF1MAPTROCK2ROCK1EGFR
SCHEMBL9985586 0.78 HSF1 (0.63) HSF1POLBMAPTMAOBNOS1
SCHEMBL9985786 0.77 HSF1 (0.62) HSF1POLBMAPTMAOBNOS1
SCHEMBL6788873 0.77 HSF1 (0.53) HSF1MAPTNOS1ROCK1EGFR
SCHEMBL6783318 0.77 HSF1 (1.00) HSF1POLBMAPTMAOBNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US 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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME PTMS, NOS3, NOS1 HSF1 4573/4885POLB 4416/4885MAPT 4427/4885

“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.