SCHEMBL44204

SCHEMBL44204

CS(=O)(=O)Nc1cc(C#N)cc(-c2cn3nc(Cl)ccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CG P48736 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PIK3CA P42336 2/20 0.40
POLB P06746 1/20 0.40
TNIK Q9UKE5 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PGR P06401 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR3C1 P04150 2/20 0.36
NR3C2 P08235 2/20 0.36
AR P10275 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TTK P33981 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL44236 0.83 KDM4E (0.47) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA
SCHEMBL13844859 0.81 PIK3CG (0.40) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA
SCHEMBL44397 0.76 ALDH1A3 (0.53) NPC1RAB9A
SCHEMBL44776 0.73 CSNK1D (0.36) PIK3CANPC1RAB9ACSNK1DCSNK1E
SCHEMBL10755783 0.72 CYP17A1 (0.46) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA
SCHEMBL19327435 0.70 HDAC6 (0.52) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA
SCHEMBL10754637 0.68 PIK3CD (0.38) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA
SCHEMBL4099914 0.67 DRD2 (0.42) KDM4ENPC1RAB9ACSNK1DCSNK1E
SCHEMBL1665690 0.66 NPC1 (0.56) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL10755444 0.65 KDM4E (0.60) KDM4EPIK3CDPIK3CGALDH1A1PIK3CA

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 11 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 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
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 KDM4E 1644/4885PIK3CD 2459/4885PIK3CG 1852/4885

“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.