SCHEMBL993835

SCHEMBL993835

c1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCOCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KCNH2 Q12809 3/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 1/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
Hydrochloric Acid SCHEMBL44505 0.99 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL44702 0.89 KCNH2 (0.44) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL44364 0.86 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL44042 0.84 NPC1 (0.46) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL44711 0.84 MAPT (0.43) SMN1; SMN2NPC1RAB9AKCNH2KMT2A
SCHEMBL13844932 0.82 PIK3CA (0.38) SMN1; SMN2HSD17B10MAPTHTTNPSR1
SCHEMBL44654 0.82 RAB9A (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKCNH2
SCHEMBL44223 0.82 RAB9A (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL44282 0.82 PPARA (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL44365 0.82 NOTUM (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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-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
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
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-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
EP-2214669-A1 CYTOKINE INHIBITORS Hutchison Medipharma Enterprises Limited (BS) 2010-08-11 EP 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
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
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
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 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-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 ALDH1A1 391/4885SMN1; SMN2 4477/4885HSD17B10 1367/4885

“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.