SCHEMBL4334889

SCHEMBL4334889

CCOc1ccc2ccccc2c1C(=O)n1cc(-c2cccc(C(=O)OCc3ccccc3)c2)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.43
AVPR1A P37288 1/20 0.42
AVPR1B P47901 1/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PPIA P62937 1/20 0.39
PTGER1 P34995 1/20 0.38

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
SCHEMBL4339611 0.90 ELANE (0.47) ELANEHCRTR1HCRTR2ALDH1A1RAB9A
SCHEMBL4340490 0.87 ELANE (0.47) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL4343826 0.81 ALDH1A1 (0.43) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL4328036 0.81 ALDH1A1 (0.46) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL4341340 0.79 DHFR (0.46) ELANEHCRTR1HCRTR2ALDH1A1RAB9A
SCHEMBL4332795 0.79 SLC22A12 (0.45) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL4346775 0.77 ALDH1A1 (0.45) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL13668888 0.75 HCRTR1 (0.42) AVPR1AAVPR1BHCRTR1HCRTR2ALDH1A1
SCHEMBL4342960 0.75 ALDH1A1 (0.54) ELANEAVPR1AAVPR1BHCRTR1HCRTR2
SCHEMBL4339542 0.74 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1RAB9ALMNA

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 ELANE 2065/4885AVPR1A 4308/4885AVPR1B 3988/4885

“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.