SCHEMBL3026844

SCHEMBL3026844

O=Cc1ccc(O)cc1-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 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.34
PDE4D Q08499 9/20 0.34
PIK3CA P42336 2/20 0.34
PDE4A P27815 5/20 0.33
PDE4C Q08493 5/20 0.33
TNF P01375 4/20 0.33
LITAF Q99732 4/20 0.33
KCNH2 Q12809 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL3026847 1.00 PDE4B (0.34) PDE4BPDE4DPIK3CAPDE4APDE4C
SCHEMBL3022944 0.94 PDE4B (0.34) PDE4BPDE4DPIK3CAPDE4APDE4C
SCHEMBL3022948 0.94 PDE4B (0.34) PDE4BPDE4DPIK3CAPDE4APDE4C
SCHEMBL10271672 0.90 TNF (0.36) PDE4BPDE4DPIK3CATNFLITAF
SCHEMBL870301 0.89 SSTR2 (0.36) PDE4BPDE4DPIK3CATNFLITAF
SCHEMBL870302 0.89 SSTR2 (0.36) PDE4BPDE4DPIK3CATNFLITAF
SCHEMBL16087349 0.88 PIK3CA (0.33) PDE4BPDE4DPIK3CATNFLITAF
SCHEMBL3023252 0.86 KCNH2 (0.35) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL3023254 0.86 KCNH2 (0.35) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL870680 0.85 TNF (0.33) PDE4BPDE4DPIK3CATNFLITAF

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

“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.