SCHEMBL3022944

SCHEMBL3022944

O=Cc1cc(O)ccc1-c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)O)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.34
PIK3CA P42336 2/20 0.34
PDE4D Q08499 4/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32

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
SCHEMBL3022948 1.00 PDE4B (0.34) PDE4BPIK3CAPDE4DPDE4APDE4C
SCHEMBL3026844 0.94 PDE4B (0.34) PDE4BPIK3CAPDE4DPDE4APDE4C
SCHEMBL3026847 0.94 PDE4B (0.34) PDE4BPIK3CAPDE4DPDE4APDE4C
SCHEMBL8178273 0.90 PIK3CA (0.35) PDE4BPIK3CAKCNH2CYP3A4CYP2C9
SCHEMBL3028996 0.86 PDE4B (0.48) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL3029000 0.86 PDE4B (0.48) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL870434 0.86 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CKCNH2
SCHEMBL870433 0.86 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CKCNH2
SCHEMBL3027610 0.86 GRIN1 (0.33) PDE4BPDE4DPDE4APDE4CKCNH2
SCHEMBL3027613 0.86 GRIN1 (0.33) PDE4BPDE4DPDE4APDE4CKCNH2

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 2/4885PIK3CA 859/4885PDE4D 11/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PIK3CA 273/4885PDE4D 10/4885

“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.