SCHEMBL4333035

SCHEMBL4333035

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.41
GAK O14976 1/20 0.41
ACACA Q13085 1/20 0.41
ELANE P08246 3/20 0.40
DYRK1A Q13627 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGDS O60760 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 2/20 0.39
PIK3CA P42336 1/20 0.38
HTT P42858 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
SCHEMBL4339598 0.88 ELANE (0.45) KITGAKELANEAAK1BRD4
SCHEMBL4341719 0.86 CFTR (0.43) KITGAKAAK1ALDH1A1KDM4E
SCHEMBL4337037 0.86 ELANE (0.49) KITELANEAAK1BRD4BRD9
SCHEMBL4333032 0.85 AAK1 (0.45) KITELANEDYRK1AAAK1BRD4
SCHEMBL13666652 0.84 ELANE (0.54) ELANEAAK1
SCHEMBL4337673 0.82 CFTR (0.47) KITELANEAAK1ALDH1A1KDM4E
SCHEMBL4333003 0.81 ELANE (0.46) ELANEAAK1BRD4ALDH1A1KDM4E
SCHEMBL13666650 0.81 ALDH1A1 (0.44) KITALDH1A1KDM4EMAPT
Benzamide SCHEMBL4341718 0.80 AAK1 (0.44) KITELANEAAK1ALDH1A1KDM4E
SCHEMBL13666654 0.79 HTT (0.50) ELANEAAK1ALDH1A1KDM4EMAPT

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 5 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
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 KIT 2971/4885GAK 1441/4885ACACA 4338/4885

“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.