SCHEMBL44934

SCHEMBL44934

CCOC(=O)c1cccnc1Nc1cccc(-c2cn3ncccc3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
SYK P43405 2/20 0.44
HTT P42858 4/20 0.44
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 1/20 0.41
KDR P35968 2/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL39065 0.85 HTT (0.41) AAK1EGFRERBB2HTTMAPK1
SCHEMBL43813 0.85 LMNA (0.54) AAK1SYKHTTMAPK1MEN1
SCHEMBL44141 0.84 LMNA (0.56) SYKHTTMAPK1MEN1KMT2A
SCHEMBL44514 0.83 AAK1 (0.48) AAK1HTTMAPK1MEN1KMT2A
SCHEMBL44135 0.81 MEN1 (0.42) AAK1HTTMAPK1MEN1KMT2A
SCHEMBL12926176 0.81 LMNA (0.43) SYKHTTMAPK1MEN1KMT2A
SCHEMBL38941 0.80 SMN1; SMN2 (0.47) SYKHTTMAPK1MEN1KMT2A
SCHEMBL43820 0.80 PDE4D (0.43) EGFRSYKMEN1KMT2APDE4D
SCHEMBL39292 0.78 SMN1; SMN2 (0.56) SLC6A2HTR2AOPRK1HTR2BSLC6A3
SCHEMBL26742261 0.78 HTT (0.56) SYKHTTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 AAK1 173/4885EGFR 2322/4885ERBB2 1286/4885

“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.