SCHEMBL6136981

SCHEMBL6136981

CC(=O)Oc1cnccc1CCCOc1cccnc1Cc1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MAOB P27338 3/20 0.36
EGFR P00533 2/20 0.35
CFD P00746 1/20 0.34
CHRNA7 P36544 1/20 0.34
GCK P35557 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PARP1 P09874 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL6136791 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL6796134 0.83 EGFR (0.32) MAOBEGFRCFDALDH1A1PIM1
SCHEMBL6136764 0.81 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6136938 0.77 HTR1A (0.36) MAOBEGFRGCKKMT2AMEN1
SCHEMBL6136790 0.73 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6802862 0.73 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6136802 0.72 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DKMT2A
Fumaric Acid SCHEMBL6800566 0.69 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
Fumaric Acid SCHEMBL6800568 0.69 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL1051247 0.68 PPARG (0.39) KMT2AMEN1ALDH1A1CYP1A2TSHR

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 3 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-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
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 (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-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.