SCHEMBL869904

SCHEMBL869904

COC(=O)c1cccc(-n2c(=O)n(C3CCC(N)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
PDE4D Q08499 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
GAA P10253 1/20 0.38
TNF P01375 10/20 0.38
LITAF Q99732 10/20 0.38
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
RAB9A P51151 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL872081 1.00 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL871920 0.89 SSTR2 (0.39) PDE4BPDE4DGAATNFLITAF
SCHEMBL871921 0.89 SSTR2 (0.39) PDE4BPDE4DGAATNFLITAF
SCHEMBL4870413 0.89 PDE4B (0.40) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4870421 0.89 PDE4B (0.40) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4886119 0.88 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4886115 0.88 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4879091 0.87 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4879164 0.87 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL4879150 0.87 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 11/4885PDE4A 1/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 11/4885PDE4A 1/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4D 10/4885PDE4A 1/4885

“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.