SCHEMBL4339598

SCHEMBL4339598

COc1ccc(-c2cn(C(=O)O)c3ncccc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
BRD9 Q9H8M2 2/20 0.43
BRD7 Q9NPI1 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
AAK1 Q2M2I8 1/20 0.43
SYK P43405 1/20 0.43
PDE4D Q08499 1/20 0.43
HTT P42858 2/20 0.42
TRPM5 Q9NZQ8 1/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CTSB P07858 1/20 0.41
KIT P10721 2/20 0.41
HPGD P15428 1/20 0.41
GAK O14976 1/20 0.41
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4337037 0.91 ELANE (0.49) ELANEBRD9BRD7BRD4ALDH1A1
SCHEMBL4333032 0.89 AAK1 (0.45) ELANEBRD9BRD7BRD4ALDH1A1
SCHEMBL13666652 0.89 ELANE (0.54) ELANEAAK1KMT2A
SCHEMBL4333035 0.88 KIT (0.41) ELANEBRD9BRD7BRD4ALDH1A1
SCHEMBL4339563 0.88 PDE4D (0.51) PDE4D
SCHEMBL4337673 0.86 CFTR (0.47) ELANEALDH1A1KDM4EAAK1HTT
SCHEMBL4333003 0.85 ELANE (0.46) ELANEBRD4ALDH1A1KDM4EAAK1
SCHEMBL13666656 0.84 MAPT (0.46) ELANEBRD9BRD7BRD4ALDH1A1
Benzamide SCHEMBL4341718 0.84 AAK1 (0.44) ELANEALDH1A1KDM4EAAK1SYK
SCHEMBL13666654 0.84 HTT (0.50) ELANEALDH1A1KDM4EAAK1SYK

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
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 ELANE 2065/4885BRD9 396/4885BRD7 205/4885

“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.