SCHEMBL4339872

SCHEMBL4339872

COc1ccc(-c2ccc3[nH]ccc3c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 3/20 0.63
PRKCQ Q04759 4/20 0.60
NPC1 O15118 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HCRTR1 O43613 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ABCB1 P08183 1/20 0.52
PRKCD Q05655 2/20 0.51
PRKCH P24723 1/20 0.51
PRKCE Q02156 1/20 0.51
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
SYK P43405 1/20 0.49
LRRK2 Q5S007 1/20 0.49
EGFR P00533 1/20 0.48

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
SCHEMBL2527600 0.86 MAP3K11 (0.73) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL30729100 0.85 NPC1 (0.51) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL27074766 0.85 NPC1 (0.51) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL5850255 0.81 NPC1 (0.79) MAP3K11NPC1
SCHEMBL7089083 0.81 NPC1 (0.62) NPC1MEN1KMT2AHCRTR1CASP3
SCHEMBL6090445 0.80 TUBB4A (0.48) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL12680452 0.80 NPC1 (0.61) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL720862 0.79 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL7088281 0.79 NPC1 (0.56) MAP3K11PRKCQNPC1MEN1KMT2A
SCHEMBL15758953 0.78 MEN1 (0.55) MAP3K11PRKCQNPC1MEN1KMT2A

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 8 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
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 MAP3K11 2763/4885PRKCQ 180/4885NPC1 1866/4885

“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.