SCHEMBL3436255

SCHEMBL3436255

O=C(O)c1coc(N2CCC(O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.41
GPR119 Q8TDV5 1/20 0.40
CFTR P13569 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 1/20 0.35
PTGER4 P35408 2/20 0.34
FGFR1 P11362 2/20 0.34
ABL1 P00519 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGAL P20701 1/20 0.33
AURKA O14965 2/20 0.33
MGLL Q99685 1/20 0.32
HTR2C P28335 1/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
CDC7 O00311 1/20 0.32

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
SCHEMBL18207851 0.91 IRAK4 (0.47) IRAK4GPR119CFTRKDM4EUSP2
SCHEMBL16896384 0.91 IRAK4 (0.47) IRAK4GPR119CFTRKDM4EUSP2
SCHEMBL13162585 0.88 IRAK4 (0.37) IRAK4KDM4EUSP2HPGDNPSR1
SCHEMBL13162582 0.84 IRAK4 (0.36) IRAK4KDM4EITGALGSK3BDYRK1A
SCHEMBL13163116 0.83 GNE (0.40) IRAK4KDM4EHPGDHSD17B10ITGAL
SCHEMBL3436256 0.82 GNE (0.39) IRAK4KDM4EHPGDHSD17B10GSK3B
SCHEMBL13162580 0.82 IRAK4 (0.38) IRAK4KDM4EUSP2HPGDNPSR1
SCHEMBL2079853 0.81 KMO (0.49) IRAK4KDM4EHSD17B10PIK3CAMAPK1
SCHEMBL17383754 0.81 USP2 (0.40) IRAK4KDM4EUSP2HPGDNPSR1
SCHEMBL13162584 0.80 IRAK4 (0.36) IRAK4KDM4EUSP2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 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 (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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 IRAK4 199/4885GPR119 77/4885CFTR 2289/4885

“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.