SCHEMBL3607687

SCHEMBL3607687

COc1ccc(-c2ccnn2Cc2cccc(F)c2)cc1OC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
PDE4B Q07343 6/20 0.42
PDE4A P27815 4/20 0.40
ROCK2 O75116 3/20 0.39
KMT2A Q03164 1/20 0.39
PDE4D Q08499 8/20 0.38
DRD4 P21917 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDE4C Q08493 3/20 0.37
PRNP P04156 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL3604524 0.90 PDE4D (0.47) PDE4BPDE4AROCK2PDE4DPDE4C
SCHEMBL3601367 0.90 NR3C2 (0.42) PDE4BPDE4APDE4DDRD4PDE4C
SCHEMBL3611676 0.90 PDE4D (0.45) PDE4BPDE4APDE4DPDE4C
SCHEMBL3604967 0.88 PDE4B (0.41) PDE4BPDE4APDE4DDRD4PDE4C
SCHEMBL3612474 0.87 PDE4B (0.43) PDE4BPDE4APDE4DPDE4C
SCHEMBL3611903 0.87 CES2 (0.41) CES2PDE4BPDE4AROCK2KMT2A
SCHEMBL3599191 0.86 MAPK1 (0.44) PDE4BPDE4AKMT2APDE4DDRD4
SCHEMBL3593366 0.86 PDE4B (0.42) PDE4BPDE4APDE4DPDE4C
SCHEMBL3612777 0.85 PDE4D (0.45) PDE4BPDE4APDE4DPDE4C
SCHEMBL3613146 0.85 PDE4B (0.44) PDE4BPDE4APDE4DPDE4C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP claimed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP claimed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR CES2 3562/4885PDE4B 2673/4885PDE4A 2439/4885

“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.