SCHEMBL9984401

SCHEMBL9984401

O=[N+]([O-])c1ccc(NC2CC2)nc1Nc1ccc(N2CCCC(CO)C2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
RET P07949 2/20 0.38
ROS1 P08922 2/20 0.38
FLT3 P36888 2/20 0.38
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
SYK P43405 2/20 0.37
SIK1 P57059 2/20 0.37
SIK2 Q9H0K1 2/20 0.37
SIK3 Q9Y2K2 2/20 0.37
JAK2 O60674 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HSF1 Q00613 1/20 0.35
BCL6 P41182 1/20 0.34

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
SCHEMBL9984036 0.91 HSF1 (0.44) MAPTRETROS1FLT3EML4
SCHEMBL9983535 0.89 BRD4 (0.49) MAPTRETROS1FLT3EML4
SCHEMBL9984192 0.89 MAPT (0.41) MAPTRETROS1FLT3EML4
SCHEMBL9983385 0.87 MAPT (0.41) MAPTRETROS1FLT3EML4
SCHEMBL9984835 0.87 BRD4 (0.39) MAPTSYKJAK2BRD4LMNA
SCHEMBL9984258 0.86 MAPT (0.40) MAPTSYKJAK2MAPK1BRD4
SCHEMBL9985270 0.85 MAPT (0.39) MAPTSYKJAK2MAPK1LMNA
SCHEMBL9984840 0.85 MAPT (0.41) MAPTSYKJAK2MAPK1LMNA
SCHEMBL9984359 0.84 MAPT (0.39) MAPTRETROS1FLT3EML4
SCHEMBL9984935 0.84 ATR (0.42) MAPTRETROS1FLT3EML4

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 4055/4885RET 4211/4885ROS1 3832/4885

“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.