SCHEMBL3436256

SCHEMBL3436256

O=C(O)c1coc(N2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.39
ELANE P08246 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
ALDH1A1 P00352 4/20 0.36
PTGER1 P34995 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KMO O15229 2/20 0.33

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
SCHEMBL13163116 0.98 GNE (0.40) GNEELANECSNK2A2CSNK2BCSNK2A1
SCHEMBL2079853 0.85 KMO (0.49) ELANEIRAK4ALDH1A1KDM4EHSD17B10
SCHEMBL17373753 0.83 GSK3B (0.45) IRAK4ALDH1A1KDM4EGSK3BDYRK1A
SCHEMBL25703452 0.82 KDM4E (0.44) GNEIRAK4ALDH1A1KDM4EKMO
SCHEMBL13162585 0.82 IRAK4 (0.37) IRAK4KDM4EHSD17B10HPGDKMO
SCHEMBL3436255 0.82 IRAK4 (0.41) IRAK4KDM4EHSD17B10HPGDGSK3B
SCHEMBL13270407 0.80 IRAK4 (0.35) ELANEIRAK4ALDH1A1HRH3GSK3B
SCHEMBL13634273 0.79 RIPK1 (0.34) IRAK4
SCHEMBL13162582 0.78 IRAK4 (0.36) IRAK4KDM4ETSHRTDP1GSK3B
SCHEMBL31197670 0.77 CKS1B (0.50) ALDH1A1HPGDMEN1KMT2A

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
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 GNE 4471/4885ELANE 4758/4885CSNK2A2 1612/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 GNE 3519/4885ELANE 2732/4885CSNK2A2 471/4885

“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.