SCHEMBL3030776

SCHEMBL3030776

O=C(O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccn4)c3)c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.40
PDE4D Q08499 13/20 0.40
KCNH2 Q12809 2/20 0.36
PDE4A P27815 5/20 0.35
PDE4C Q08493 5/20 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
SCHEMBL3030781 1.00 PDE4B (0.40) PDE4BPDE4DKCNH2PDE4APDE4C
SCHEMBL10272129 0.89 KDM4D (0.41) PDE4BPDE4DKCNH2
SCHEMBL3023409 0.87 GRIN2B (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL3023413 0.87 GRIN2B (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL4233037 0.87 PDE4B (0.36) PDE4BPDE4DKCNH2PDE4APDE4C
SCHEMBL4233040 0.87 PDE4B (0.36) PDE4BPDE4DKCNH2PDE4APDE4C
SCHEMBL871887 0.87 USP30 (0.37) PDE4BPDE4DKCNH2
SCHEMBL8187441 0.87 USP30 (0.37) PDE4BPDE4DKCNH2
SCHEMBL871888 0.87 USP30 (0.37) PDE4BPDE4DKCNH2
SCHEMBL871851 0.85 PDE4B (0.43) PDE4BPDE4D

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-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 11/4885KCNH2 3141/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4D 10/4885KCNH2 3031/4885

“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.