SCHEMBL4332795

SCHEMBL4332795

CCOc1ccc2ccccc2c1C(=O)n1cc(-c2ccc(O)c(OC)c2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 9/20 0.43
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR1A P37288 1/20 0.40
AVPR1B P47901 1/20 0.40
ELANE P08246 2/20 0.39
RIPK1 Q13546 1/20 0.39
GAA P10253 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 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
SCHEMBL4328036 0.94 ALDH1A1 (0.46) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4339542 0.86 HCRTR1 (0.45) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4335675 0.84 KDM4E (0.41) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4339611 0.84 ELANE (0.47) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4340490 0.83 ELANE (0.47) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4346775 0.82 ALDH1A1 (0.45) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL4335374 0.82 HCRTR1 (0.46) SLC22A12ALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL4343826 0.82 ALDH1A1 (0.43) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL5313795 0.80 KDM4E (0.41) SLC22A12ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL5313649 0.80 LMNA (0.43) LMNATSHRHSD17B10L3MBTL1ELANE

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 SLC22A12 2062/4885ALDH1A1 1580/4885HCRTR1 3842/4885

“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.