SCHEMBL3316433

SCHEMBL3316433

COc1ccc(CNc2ncc3[nH]c(=O)n([C@H]4CN(Cc5ccccc5)CC[C@H]4C)c3c2[N+](=O)[O-])cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 1/20 0.40
MCHR1 Q99705 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3312979 1.00 APP (0.43) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL3310689 0.89 APP (0.45) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL3312753 0.89 APP (0.45) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL4385742 0.78 OPRM1 (0.39) ACHEBACE1SIGMAR1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3316281 0.78 OPRM1 (0.39) ACHEBACE1SIGMAR1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3314434 0.78 OPRM1 (0.39) ACHEBACE1SIGMAR1KMT2AKDM4E
SCHEMBL574975 0.77 APP (0.46) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL3315285 0.77 APP (0.46) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL574976 0.77 APP (0.46) APPACHEBACE1MCHR1SIGMAR1
SCHEMBL3308729 0.74 APP (0.43) APPACHEMCHR1SIGMAR1KMT2A

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-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
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 4006/4885BACE1 3472/4885

“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.