SCHEMBL10271898

SCHEMBL10271898

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCOCC5)cc4)c3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.47
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
AKT1 P31749 1/20 0.36
JAK1 P23458 1/20 0.36
PDE4D Q08499 2/20 0.35
KCNH2 Q12809 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8193271 0.91 PARP1 (0.38) PDE4BPARP1PARP2AKT1JAK1
SCHEMBL10272053 0.91 PARP1 (0.38) PDE4BPARP1PARP2AKT1JAK1
SCHEMBL10271617 0.91 PDE4B (0.41) PDE4BPARP1PARP2CNR2AKT1
SCHEMBL3018346 0.91 PDE4B (0.49) PDE4BCNR1CNR2PDE4DKCNH2
SCHEMBL3018341 0.91 PDE4B (0.49) PDE4BCNR1CNR2PDE4DKCNH2
SCHEMBL10271670 0.90 PDE4B (0.46) PDE4BPARP1PARP2AKT1JAK1
SCHEMBL8185505 0.90 PDE4B (0.46) PDE4BPARP1PARP2AKT1JAK1
SCHEMBL872016 0.89 PDE4B (0.47) PDE4BCNR1CNR2JAK1
SCHEMBL8168986 0.89 PARP1 (0.39) PDE4BPARP1PARP2CNR2AKT1
SCHEMBL10271668 0.89 PARP1 (0.39) PDE4BPARP1PARP2CNR2AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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 2/4885PARP1 815/4885PARP2 1491/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PARP1 815/4885PARP2 1491/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PARP1 618/4885PARP2 997/4885

“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.