SCHEMBL4335494

SCHEMBL4335494

COc1ccc(-c2cn(S(=O)(=O)c3ccc(-c4ccncc4C)cc3)c3ncccc23)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
APLNR P35414 2/20 0.39
HTR6 P50406 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KIT P10721 2/20 0.38
PTGS2 P35354 2/20 0.37
SCN9A Q15858 2/20 0.37
MAPK1 P28482 1/20 0.37
PTPN11 Q06124 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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 0.86 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4333431 0.85 NOD2 (0.47) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4330180 0.83 GHSR (0.40) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4337399 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4337652 0.81 MEN1 (0.48) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL4333219 0.81 ACHE (0.42) PDE4APDE4BPDE4CPDE4DMAP4K1
SCHEMBL4336524 0.80 GHSR (0.40) PDE4APDE4BPDE4CPDE4DMAP4K1
SCHEMBL4342181 0.80 CYP17A1 (0.42) AAK1KITMAPK1
SCHEMBL4338245 0.79 BRD4 (0.41) PDE4APDE4BPDE4CPDE4DKIT
SCHEMBL12573392 0.79 L3MBTL1 (0.44) 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 7 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
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 PDE4A 2/4885PDE4B 1/4885PDE4C 3/4885

“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.