SCHEMBL6136885

SCHEMBL6136885

N#Cc1cnccc1CCCOc1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.74
PDE4B Q07343 1/20 0.74
PDE4C Q08493 1/20 0.74
PDE4D Q08499 1/20 0.74
CYP19A1 P11511 3/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
AR P10275 1/20 0.36
PTGS1 P23219 2/20 0.36
MEN1 O00255 1/20 0.36
PPP1CA P62136 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL5988800 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL6136745 0.85 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL6136825 0.82 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136802 0.80 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136870 0.79 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136814 0.78 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL6136699 0.78 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6137390 0.76 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DMEN1
Fumaric Acid SCHEMBL6800566 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6800568 0.76 PDE4A (0.66) 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.