SCHEMBL9984456

SCHEMBL9984456

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2cccc(N)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.64
HSF1 Q00613 1/20 0.46
NTRK1 P04629 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
ALDH3A1 P30838 1/20 0.42
ROCK1 Q13464 1/20 0.41
GSK3B P49841 1/20 0.39
PIM1 P11309 1/20 0.39
PIN1 Q13526 1/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9984223 0.86 HSF1 (0.60) BRD4HSF1ABCG2ROCK1GSK3B
SCHEMBL9984721 0.85 BRD4 (0.47) BRD4HSF1NTRK1ABCG2ROCK1
SCHEMBL9984298 0.85 BRD4 (0.66) BRD4HSF1NTRK1ROCK1GSK3B
SCHEMBL9984094 0.84 HSF1 (0.47) BRD4HSF1ABCG2ROCK1GSK3B
SCHEMBL9984677 0.84 BRD4 (0.60) BRD4HSF1MAPT
SCHEMBL9984179 0.81 BRD4 (0.67) BRD4HSF1NTRK1ABCG2ALDH3A1
SCHEMBL9984816 0.80 BRD4 (0.66) BRD4HSF1NTRK1GSK3BCYP1A2
SCHEMBL9984735 0.79 BRD4 (0.45) BRD4HSF1NTRK1ABCG2ROCK1
SCHEMBL9984889 0.79 FGFR4 (0.49) ABCG2ROCK1GSK3BPIM1PIN1
SCHEMBL9984233 0.77 BRD4 (0.62) BRD4HSF1MAPT

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 BRD4 1137/4885HSF1 4685/4885NTRK1 4076/4885

“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.