SCHEMBL9984416

SCHEMBL9984416

CC(C)CNc1ccc([N+](=O)[O-])c(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
BRD4 O60885 6/20 0.42
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
HSF1 Q00613 1/20 0.38
CDK1 P06493 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LMNA P02545 1/20 0.35
PORCN Q9H237 2/20 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
SCHEMBL9984168 0.87 BRD4 (0.56) EGFRBRD4MAPTHTTCYP1A2
SCHEMBL9984707 0.85 HSF1 (0.52) EGFRBRD4MAPTHTTCYP1A2
SCHEMBL9985560 0.84 EGFR (0.45) EGFRBRD4MAPTCYP2C9HSF1
SCHEMBL9985058 0.82 BRD4 (0.48) BRD4MAPTHTTCYP1A2ALDH1A1
SCHEMBL9984831 0.82 BRD4 (0.48) BRD4MAPTHTTCYP1A2ALDH1A1
SCHEMBL9985113 0.82 EGFR (0.43) EGFRBRD4MAPTCYP1A2CYP2C9
SCHEMBL9985111 0.82 EGFR (0.43) EGFRMAPTHTTALDH1A1CDK1
SCHEMBL9985382 0.81 EGFR (0.48) EGFRMAPTHTTALDH1A1CYP2C9
SCHEMBL9983629 0.80 MAPT (0.50) BRD4MAPTHTTCYP1A2ALDH1A1
SCHEMBL9986269 0.79 EGFR (0.43) EGFRBRD4MAPTHSF1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN 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 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
CN-102356066-A Novel 2,6-substituted-3-nitropyridine derivative, method for preparing same, and pharmaceutical composition including same DONG WHA PHARM CO LTD 2012-02-15 CN disclosed
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 EGFR 4627/4885BRD4 1137/4885MAPT 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.