SCHEMBL4333219

SCHEMBL4333219

COc1ccc(-c2cn(S(=O)(=O)c3ccc(-c4nnc(C)o4)cc3)c3ncccc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK1 P28482 4/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
GAA P10253 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HTR1D P28221 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4330189 0.85 PDE4D (0.50) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4333431 0.85 NOD2 (0.47) CA1CA2PDE4APDE4BPDE4C
SCHEMBL4337652 0.82 MEN1 (0.48) KDM4EHSD17B10MAPK1PDE4APDE4B
SCHEMBL4337399 0.81 PDE4A (0.45) KDM4EHSD17B10MAPK1GAAPDE4A
SCHEMBL4335494 0.81 PDE4A (0.39) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL4330180 0.80 GHSR (0.40) KDM4EHSD17B10MAPK1PDE4APDE4B
SCHEMBL4336524 0.79 GHSR (0.40) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL12573392 0.79 L3MBTL1 (0.44) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL1665938 0.78 PTGDR2 (0.51) SCN9APTPN11
SCHEMBL1666221 0.78 PTGDR2 (0.47) SCN9APTPN11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C ACHE 192/4885TLR8 3469/4885TLR7 2517/4885

“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.