SCHEMBL44160

SCHEMBL44160

O=C(Cc1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1)NC[C@@H]1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.54
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.48
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
KLF5 Q13887 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL44161 1.00 HPGD (0.55) HPGDSMN1; SMN2ALDH1A1USP2MAPT
SCHEMBL44310 0.85 HPGD (0.50) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL44354 0.85 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL44472 0.83 HTT (0.40) MAPTKMT2AHTTTSHR
SCHEMBL44314 0.81 HDAC4 (0.42) HPGDALDH1A1MAPTLMNAHTT
SCHEMBL45068 0.80 HPGD (0.38) HPGDALDH1A1KMT2ATSHR
SCHEMBL44565 0.80 HPGD (0.51) HPGDSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL44623 0.80 FFAR1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL43954 0.79 WDR5 (0.47) MAPTKMT2ALMNA
SCHEMBL45433 0.79 GLA (0.37) ALDH1A1MAPTNPC1RAB9AKMT2A

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 10 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
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
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
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
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 HPGD 151/4885SMN1; SMN2 4477/4885ALDH1A1 391/4885

“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.