SCHEMBL16065124

SCHEMBL16065124

CCOC(=O)c1csc(-c2ccnc(OCCOCCN)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CDC7 O00311 3/20 0.36
DBF4 Q9UBU7 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JMJD6 Q6NYC1 3/20 0.35
IDO1 P14902 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIK3CA P42336 1/20 0.34
PRKCZ Q05513 1/20 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
SCHEMBL16065180 0.83 ERN1 (0.45) GSK3BCDC7DBF4ALDH1A1HPGD
SCHEMBL16065117 0.83 BCHE (0.40) TDP1
SCHEMBL16065184 0.80 CDK5 (0.39) GSK3BCDK5CDK5R1CDC7DBF4
SCHEMBL1724832 0.80 CDC7 (0.53) CDK5CDK5R1CDC7DBF4ALDH1A1
SCHEMBL16065181 0.79 MAPT (0.42) GSK3BALDH1A1L3MBTL1
SCHEMBL16065077 0.76 CYP1A2 (0.46) GSK3BCDC7DBF4ALDH1A1L3MBTL1
SCHEMBL17406994 0.76 IRAK4 (0.38) GSK3BCDC7DBF4
SCHEMBL939732 0.74 ALDH1A1 (0.52) CDK5CDK5R1CDC7DBF4ALDH1A1
SCHEMBL17407105 0.73 NPC1 (0.37) ALDH1A1JMJD6PIK3CA
SCHEMBL16065225 0.71 HPGDS (0.49) CDK5CDK5R1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 EP disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 US disclosed
US-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 US disclosed
US-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC. (US) 2016-01-07 US disclosed
WO-2014143672-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN IDEC MA INC. (US) 2014-09-18 WO 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-20160002265-A1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES IRAK4, IRAK1, IRAK2 GSK3B 1207/4885CDK5 392/4885CDK5R1 304/4885

“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.