SCHEMBL3308729

SCHEMBL3308729

CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
ACHE P22303 1/20 0.42
MAPT P10636 4/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 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
SCHEMBL566430 1.00 APP (0.43) APPACHEMAPTJAK1JAK3
SCHEMBL3315285 0.93 APP (0.46) APPACHEJAK1JAK3SMN1; SMN2
SCHEMBL574975 0.93 APP (0.46) APPACHEJAK1JAK3SMN1; SMN2
SCHEMBL574976 0.93 APP (0.46) APPACHEJAK1JAK3SMN1; SMN2
SCHEMBL10099182 0.89 APP (0.45) APPACHEMAPTJAK1JAK3
SCHEMBL566828 0.81 APP (0.48) APPACHEJAK1JAK3SMN1; SMN2
SCHEMBL10099144 0.80 JAK1 (0.44) MAPTJAK1JAK3NPSR1SMN1; SMN2
SCHEMBL1154694 0.74 POLB (0.43) MAPTJAK1JAK3NPSR1SMN1; SMN2
SCHEMBL12861431 0.74 POLB (0.43) MAPTJAK1JAK3NPSR1SMN1; SMN2
SCHEMBL1154696 0.74 POLB (0.43) MAPTJAK1JAK3NPSR1SMN1; SMN2

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-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
EP-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 APP 1680/4885ACHE 4006/4885MAPT 2049/4885

“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.