SCHEMBL870053

SCHEMBL870053

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4C(=O)O)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.47
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
HPGDS O60760 2/20 0.36
NTRK1 P04629 2/20 0.35
CCR3 P51677 3/20 0.34
CYP2D6 P10635 1/20 0.34
TNKS O95271 1/20 0.34
MAP4K4 O95819 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL870054 1.00 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL870786 0.93 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL870787 0.93 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL3016921 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871134 0.92 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871849 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871848 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871877 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871876 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHPGDS
SCHEMBL871855 0.90 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DHPGDS

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 9 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-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-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
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 2/4885PDE4A 1/4885PDE4C 7/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885

“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.