SCHEMBL993694

SCHEMBL993694

CN(CCO)c1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAP4K4 O95819 1/20 0.34
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL46474 0.86 L3MBTL1 (0.40) L3MBTL1ALDH1A1RAB9ANPC1POLB
SCHEMBL16592816 0.81 MAOA (0.35) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL44365 0.80 NOTUM (0.50) L3MBTL1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL44713 0.79 ALDH1A1 (0.42) L3MBTL1ALDH1A1RAB9ANPC1HPGD
SCHEMBL44456 0.79 KIFC1 (0.37) L3MBTL1ALDH1A1HTTKMT2AKDM4E
SCHEMBL43804 0.78 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1POLBNPSR1
SCHEMBL44297 0.78 KIFC1 (0.40) RAB9ANPC1HTTMAPTAAK1
SCHEMBL44282 0.78 PPARA (0.41) L3MBTL1ALDH1A1RAB9ANPC1LMNA
SCHEMBL44476 0.78 GAA (0.37) L3MBTL1ALDH1A1RAB9ANPC1HPGD
Alcohol SCHEMBL43983 0.78 NOTUM (0.38) L3MBTL1ALDH1A1RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP claimed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US claimed
EP-2214669-A1 CYTOKINE INHIBITORS Hutchison Medipharma Enterprises Limited (BS) 2010-08-11 EP claimed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 US claimed
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO claimed
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A L3MBTL1 4171/4885ALDH1A1 391/4885RAB9A 4746/4885

“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.