SCHEMBL6136881

SCHEMBL6136881

COc1cncc(Cl)c1CCCOc1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.61
PDE4A P27815 2/20 0.61
PDE4B Q07343 2/20 0.61
PDE4C Q08493 2/20 0.61
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PPP1CA P62136 1/20 0.45
EGFR P00533 2/20 0.42
LCK P06239 1/20 0.42
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
BRAF P15056 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SCN9A Q15858 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL6137156 0.87 PDE4A (0.58) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136847 0.87 PDE4A (0.73) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136652 0.85 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136906 0.82 PDE4A (0.48) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136799 0.81 PDE4D (0.52) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL6136832 0.79 PDE4A (0.71) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL27535812 0.79 KMT2A (0.58) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136927 0.78 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL6136782 0.78 PDE4A (0.68) PDE4DPDE4APDE4BPDE4CKMT2A
Fumaric Acid SCHEMBL6136895 0.76 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CKMT2A

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 PDE4D 46/4885PDE4A 16/4885PDE4B 13/4885
US-20030195232-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4D 46/4885PDE4A 16/4885PDE4B 13/4885

“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.