SCHEMBL38601

SCHEMBL38601

CCOC(=O)c1cccnc1NCc1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 11/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
RAB9A P51151 6/20 0.48
HPGD P15428 4/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
KDR P35968 1/20 0.45
POLB P06746 3/20 0.44
CASP6 P55212 1/20 0.44
PKM P14618 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2087990 0.77 HTT (0.65) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL15636229 0.75 SLC26A6 (0.56) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL15635121 0.74 SMN1; SMN2 (0.59) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL46488 0.74 KDM4E (0.57) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL44934 0.73 AAK1 (0.46) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL28236466 0.71 KDR (0.62) RAB9AMAPTHTTKDRNPSR1
SCHEMBL4171211 0.71 HTT (0.52) KDM4EALDH1A1RAB9ATP53MAPT
SCHEMBL12970268 0.71 RAB9A (0.63) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4174847 0.70 MAPT (0.56) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL25263897 0.69 KDM4E (0.65) KDM4EMAPK1ALDH1A1SMN1; SMN2RAB9A

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 9 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
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-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 1644/4885MAPK1 140/4885ALDH1A1 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.