SCHEMBL4333431

SCHEMBL4333431

COc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
HTR6 P50406 6/20 0.47
BRD4 O60885 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAK O14976 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ACACA Q13085 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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 0.96 PDE4D (0.50) NOD2NOD1PDE4APDE4BPDE4C
SCHEMBL4337399 0.92 PDE4A (0.45) NOD2NOD1PDE4APDE4BPDE4C
SCHEMBL4329723 0.91 PDE4A (0.44) NOD2NOD1PDE4APDE4BPDE4C
SCHEMBL4340444 0.91 HTR6 (0.45) NOD2NOD1PDE4APDE4BPDE4C
SCHEMBL4337652 0.89 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4334908 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4343775 0.85 HTR6 (0.42) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4335494 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4336524 0.85 GHSR (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL4330180 0.85 GHSR (0.40) PDE4APDE4BPDE4CPDE4DHTR6

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 8 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
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
CN-101048407-A Bicyclic heteroaryl PDE4B inhibitors PLEXXIKON INC (US) 2007-10-03 CN 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 NOD2 2130/4885NOD1 1712/4885PDE4A 2/4885

“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.