SCHEMBL6137023

SCHEMBL6137023

COc1cnccc1CCCOc1cccnc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK8 P45983 1/20 0.40
KCNA3 P22001 1/20 0.40
TSPO P30536 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ELANE P08246 1/20 0.39
ABCB1 P08183 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
SCHEMBL6136761 0.91 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136754 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6136889 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6136837 0.87 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6136790 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136734 0.85 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Fumaric Acid SCHEMBL6844443 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6803450 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6844439 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6801692 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1

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
EP-1120409-B1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2005-01-26 EP disclosed
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-16 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP 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 (2 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4A 16/4885PDE4B 13/4885PDE4C 52/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4A 16/4885PDE4B 13/4885PDE4C 52/4885

“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.