SCHEMBL4333485

SCHEMBL4333485

COc1ccc2c(c1)c(-c1ccc(OC)c(OC)c1)cn2S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
HTR7 P34969 3/20 0.49
HTR1A P08908 2/20 0.49
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL4342944 0.91 LMNA (0.46) HTR6LMNAMAPK1MAPTDRD2
SCHEMBL4334841 0.90 KMT2A (0.52) HTR6LMNAMAPK1MAPTDRD2
SCHEMBL4341439 0.88 HTR6 (0.50) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL4341437 0.86 LMNA (0.47) LMNAMAPK1MAPTALDH1A1ALOX15
SCHEMBL4342915 0.83 LMNA (0.46) HTR6LMNAMAPK1MAPTALDH1A1
SCHEMBL4336977 0.81 LMNA (0.44) LMNAMAPK1MAPTALDH1A1ALOX15
SCHEMBL4344240 0.80 HTR6 (0.44) HTR6LMNADRD2HTR2AHTR7
SCHEMBL4334959 0.80 LMNA (0.50) HTR6LMNAMAPK1MAPTALDH1A1
SCHEMBL4335134 0.79 HTR6 (0.44) HTR6DRD2HTR2AHTR7
SCHEMBL4335737 0.79 SLC40A1 (0.40) HTR6LMNAMAPK1MAPTDRD2

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
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 HTR6 2439/4885LMNA 2921/4885MAPK1 2299/4885

“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.