SCHEMBL44042

SCHEMBL44042

CS(=O)(=O)Nc1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCOCC3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
NAMPT P43490 1/20 0.42
SLC2A1 P11166 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
SLC2A2 P11168 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
MTOR P42345 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL44449 0.92 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL44511 0.85 KDM4E (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL44353 0.85 KDM4E (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL993835 0.84 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL44505 0.83 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL994123 0.79 CYP1A2 (0.39) NPC1RAB9AALDH1A1NAMPTCYP1A2
SCHEMBL44309 0.79 LMNA (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT
SCHEMBL16592860 0.77 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL16592879 0.75 LMNA (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL44394 0.75 THRB (0.46) ALDH1A1KMT2AMEN1TP53KDM4E

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 17 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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO 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
EP-2214669-B1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2015-04-01 EP disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO 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
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 NPC1 3450/4885RAB9A 4746/4885SMN1; SMN2 4477/4885

“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.