SCHEMBL4342181

SCHEMBL4342181

COc1ccc(-c2cn(S(=O)(=O)c3cccc4cnccc34)c3ncccc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.42
ROCK2 O75116 8/20 0.40
P2RX7 Q99572 1/20 0.40
PRKD3 O94806 4/20 0.39
PRKCG P05129 4/20 0.39
PRKCB P05771 4/20 0.39
CYP3A4 P08684 4/20 0.39
PRKCA P17252 4/20 0.39
PRKCH P24723 4/20 0.39
PRKCI P41743 4/20 0.39
PRKCE Q02156 4/20 0.39
PRKCQ Q04759 4/20 0.39
PRKCZ Q05513 4/20 0.39
PRKCD Q05655 4/20 0.39
PRKD1 Q15139 4/20 0.39
PRKACA P17612 3/20 0.39
PRKACG P22612 3/20 0.39
PRKACB P22694 3/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4343775 0.92 HTR6 (0.42) CYP17A1KDM4EALDH1A1
SCHEMBL4341437 0.87 LMNA (0.47) CYP17A1MEN1KMT2AALOX15TSHR
SCHEMBL4329436 0.84 TSHR (0.41) CYP17A1MEN1KMT2ATP53TSHR
SCHEMBL4338245 0.81 BRD4 (0.41) PRKCAKDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL13666638 0.81 TSHR (0.41) CYP17A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL4335494 0.80 PDE4A (0.39) AAK1MAPK1KIT
SCHEMBL4333431 0.80 NOD2 (0.47) CYP2C19AAK1CDK8
SCHEMBL4337652 0.79 MEN1 (0.48) KDM4EMEN1KMT2AHSD17B10TSHR
SCHEMBL4330189 0.78 PDE4D (0.50) MEN1KMT2AMAPK1KIT
SCHEMBL4334958 0.78 BRD4 (0.40) PRKCAMEN1KMT2AHTTRAB9A

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 CYP17A1 1328/4885ROCK2 379/4885P2RX7 1863/4885

“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.