SCHEMBL44702

SCHEMBL44702

c1cc(-c2cn3ncccc3n2)cc(-c2noc(CN3CCNCC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL993835 0.89 ALDH1A1 (0.52) KCNH2CYP2D6KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL44505 0.88 ALDH1A1 (0.51) KCNH2CYP2D6KMT2ALMNAALDH1A1
SCHEMBL39892 0.84 LMNA (0.39) KCNH2CYP2D6KMT2ALMNAPKM
SCHEMBL44293 0.84 KMT2A (0.38) KCNH2KMT2ALMNAALDH1A1MAPK1
SCHEMBL16592879 0.84 LMNA (0.38) KCNH2CYP2D6KMT2ALMNAPKM
SCHEMBL44282 0.81 PPARA (0.41) KMT2ALMNAALDH1A1MAPTNPC1
SCHEMBL44365 0.81 NOTUM (0.50) KMT2AALDH1A1NPC1RAB9AMAPK1
SCHEMBL44654 0.81 RAB9A (0.37) KCNH2CYP2D6KMT2AALDH1A1NPC1
SCHEMBL44223 0.81 RAB9A (0.37) KMT2AALDH1A1NPC1RAB9AMAPK1
Hydrochloric Acid SCHEMBL45038 0.80 NOTUM (0.41) KMT2AALDH1A1NPC1RAB9AMAPK1

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
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-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-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 KCNH2 2478/4885CYP2D6 2505/4885KMT2A 3131/4885

“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.