SCHEMBL4335675

SCHEMBL4335675

COc1ccc(-c2cn(C(=O)c3c(OCC(F)(F)F)ccc4ccccc34)c3ncccc23)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ELANE P08246 3/20 0.39
DHODH Q02127 3/20 0.37
CTSD P07339 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
MDM2 Q00987 1/20 0.36
PDE4B Q07343 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL4330156 0.91 PDE4D (0.41) PDE4B
SCHEMBL4328036 0.90 ALDH1A1 (0.46) KDM4EALDH1A1ELANETSHRLMNA
SCHEMBL5313795 0.85 KDM4E (0.41) KDM4EALDH1A1ELANEKMT2AMEN1
SCHEMBL4332795 0.84 SLC22A12 (0.45) ALDH1A1ELANETSHRLMNAHCRTR1
SCHEMBL5312401 0.81 ELANE (0.46) KDM4EALDH1A1ELANEKMT2AMEN1
SCHEMBL4339542 0.81 HCRTR1 (0.45) ALDH1A1TSHRLMNAPDE4BHCRTR1
SCHEMBL5410899 0.81 PDE4D (0.41) PDE4BHCRTR1HCRTR2
SCHEMBL13666652 0.79 ELANE (0.54) ELANEKMT2A
SCHEMBL4335374 0.78 HCRTR1 (0.46) KDM4EALDH1A1TSHRLMNAHCRTR1
SCHEMBL4333003 0.78 ELANE (0.46) KDM4EALDH1A1ELANEDHODHKMT2A

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
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-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

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 KDM4E 147/4885ALDH1A1 1580/4885ELANE 2065/4885

“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.