SCHEMBL16065266

SCHEMBL16065266

CC(=O)c1ccnc(OCCOCCN)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CREBBP Q92793 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LOXL2 Q9Y4K0 3/20 0.35
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ CXCL12 P48061 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ACACB O00763 5/20 0.34
▸ LOX P28300 2/20 0.34
▸ TTR P02766 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ MAPT P10636 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
SCHEMBL17412504 0.78 LMNA (0.47) SMN1; SMN2LMNAL3MBTL1GAAACACB
SCHEMBL26481706 0.77 LOX (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14480077 0.77 CREBBP (0.50) SMN1; SMN2ALDH1A1CREBBPMEN1KMT2A
SCHEMBL16065068 0.74 KDM4E (0.35) SMN1; SMN2ALDH1A1KDM4ELOXL2LOX
SCHEMBL29640109 0.73 KCNK3 (0.55) SMN1; SMN2ALDH1A1KDM4ELMNAMEN1
SCHEMBL12640026 0.73 KCNK3 (0.55) SMN1; SMN2ALDH1A1KDM4ELMNAMEN1
SCHEMBL28741813 0.72 MEN1 (0.41) SMN1; SMN2ALDH1A1KDM4ECREBBPMEN1
SCHEMBL17276016 0.72 IKBKB (0.47) LOXL2KCNK3KCNK9ACACBLOX
SCHEMBL30403546 0.72 EPHX2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2713663 0.72 EPHX2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1

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 SMN1; SMN2 996/4885ALDH1A1 3677/4885KDM4E 697/4885

“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.

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