SCHEMBL16065089

SCHEMBL16065089

C=CCCCNC(=O)c1nn(C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 5/20 0.37
HDAC1 Q13547 1/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL17966487 0.92 SMN1; SMN2 (0.40) ALOX15KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL17966551 0.87 JAK2 (0.39) ALOX15KDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL17966494 0.85 SMN1; SMN2 (0.42) ALOX15SMN1; SMN2L3MBTL1RAB9ALMNA
SCHEMBL17966595 0.83 GAA (0.41) KDM4EGAASMN1; SMN2L3MBTL1HDAC3
SCHEMBL17966530 0.82 KDM4E (0.43) KDM4EGAASMN1; SMN2L3MBTL1HDAC3
SCHEMBL16065101 0.82 L3MBTL1 (0.62) SMN1; SMN2L3MBTL1RAB9ANPC1POLB
SCHEMBL15401989 0.81 L3MBTL1 (0.46) KDM4EGAASMN1; SMN2L3MBTL1HDAC3
SCHEMBL17966507 0.81 HDAC3 (0.42) KDM4EGAASMN1; SMN2L3MBTL1HDAC3
SCHEMBL17966566 0.81 HDAC3 (0.42) KDM4EGAASMN1; SMN2L3MBTL1HDAC3
SCHEMBL17966581 0.80 L3MBTL1 (0.42) KDM4EGAASMN1; SMN2L3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253764-B1 MACROCYCLIC COMPOUNDS AS IRAK1/4 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-06-09 EP disclosed
CN-107849055-B Macrocyclic compounds useful as IRAK1/4 inhibitors and uses thereof 默克专利有限公司 2020-08-07 CN disclosed
US-9815836-B2 Macrocyclic compounds as IRAK1/4 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-11-14 US disclosed
US-20170275284-A1 Macrocyclic Compounds as IRAK1/4 Inhibitors and Uses Thereof MERCK PATENT GMBH (DE) 2017-09-28 US disclosed
US-9708324-B2 Macrocyclic compounds as IRAK1/4 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-07-18 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-9617282-B2 Macrocyclic compounds as IRAK4 inhibitors for the treatment of inflammatory diseases BIOGEN MA INC. (US) 2017-04-11 US disclosed
WO-2016127025-A1 MACROCYCLIC COMPOUNDS AS IRAK1/4 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
US-20160229856-A1 Macrocyclic Compounds as IRAK1/4 Inhibitors and Uses Thereof MERCK PATENT GMBH (DE) 2016-08-11 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 (3 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 ALOX15 2299/4885KDM4E 697/4885GAA 4758/4885
US-20160229856-A1 Macrocyclic Compounds as IRAK1/4 Inhibitors and Uses Thereof IRAK4, IRAK1, IRAK2 ALOX15 3955/4885KDM4E 162/4885GAA 2705/4885
US-20170275284-A1 Macrocyclic Compounds as IRAK1/4 Inhibitors and Uses Thereof IRAK4, IRAK1, IRAK2 ALOX15 3955/4885KDM4E 162/4885GAA 2705/4885

“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.