SCHEMBL44397

SCHEMBL44397

N#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ADORA2A P29274 1/20 0.43
TRPA1 O75762 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
IDO1 P14902 2/20 0.42
GRM5 P41594 2/20 0.41
XDH P47989 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PDE10A Q9Y233 1/20 0.39
AHR P35869 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
SCHEMBL44694 0.81 ALDH1A3 (0.50) ALDH1A3NPC1RAB9AADORA2ATRPA1
SCHEMBL21630603 0.81 ALDH1A3 (0.43) ALDH1A3ADORA2ATRPA1IDO1GRM5
SCHEMBL31176544 0.81 ALDH1A3 (0.43) ALDH1A3ADORA2ATRPA1IDO1GRM5
SCHEMBL4024150 0.80 F2RL3 (0.48) ALDH1A3NPC1RAB9AEGLN2IDO1
SCHEMBL44375 0.80 ALDH1A3 (0.53) ALDH1A3EGLN2IDO1GRM5XDH
SCHEMBL31176550 0.79 ADORA2A (0.50) ALDH1A3ADORA2AIDO1GRM5XDH
SCHEMBL21630654 0.79 ADORA2A (0.50) ALDH1A3ADORA2AIDO1GRM5XDH
SCHEMBL3108835 0.78 NPC1 (0.54) ALDH1A3NPC1RAB9APDE10A
SCHEMBL24509581 0.77 ADORA2A (0.48) ALDH1A3NPC1RAB9AADORA2ATRPA1
SCHEMBL30558747 0.77 ADORA2A (0.48) ALDH1A3NPC1RAB9AADORA2ATRPA1

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 12 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
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
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
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO 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-2009027733-A1 (2-PYRIDIN-3-YLIMIDAZO[1,2-B]PYRIDAZIN-6-YL) UREA DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-03-05 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 ALDH1A3 3252/4885NPC1 3450/4885RAB9A 4746/4885

“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.