SCHEMBL574975

SCHEMBL574975

COc1ccc(CNc2ncc(C(=O)O)c(N[C@H]3CN(Cc4ccccc4)CC[C@H]3C)c2[N+](=O)[O-])cc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
ACHE P22303 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
MCHR1 Q99705 1/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE5A O76074 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL574976 1.00 APP (0.46) APPACHESIGMAR1MCHR1DRD2
SCHEMBL3315285 1.00 APP (0.46) APPACHESIGMAR1MCHR1DRD2
SCHEMBL3308729 0.93 APP (0.43) APPACHESIGMAR1MCHR1DRD2
SCHEMBL566430 0.93 APP (0.43) APPACHESIGMAR1MCHR1DRD2
SCHEMBL566828 0.89 APP (0.48) APPACHESIGMAR1MCHR1DRD2
SCHEMBL10099182 0.81 APP (0.45) APPACHESIGMAR1MCHR1DRD2
SCHEMBL566703 0.79 SIGMAR1 (0.45) SIGMAR1DRD2DRD4DRD3NPC1
SCHEMBL3316433 0.77 APP (0.43) APPACHESIGMAR1MCHR1DRD2
SCHEMBL3312979 0.77 APP (0.43) APPACHESIGMAR1MCHR1DRD2
SCHEMBL10099144 0.72 JAK1 (0.44) SIGMAR1DRD2DRD4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 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 (2 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 APP 1995/4885ACHE 4673/4885SIGMAR1 3810/4885
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 APP 1680/4885ACHE 4006/4885SIGMAR1 4631/4885

“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.