SCHEMBL3018919

SCHEMBL3018919

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CO)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
CNR2 P34972 3/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGDS O60760 1/20 0.35
CNR1 P21554 1/20 0.35
KCNH2 Q12809 2/20 0.34

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
SCHEMBL871868 1.00 PDE4B (0.49) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL870430 0.95 PDE4B (0.48) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL870429 0.95 PDE4B (0.48) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL871391 0.95 PDE4B (0.49) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL871390 0.95 PDE4B (0.49) PDE4BCNR2EGLN1PDE4APDE4C
Hydrochloric Acid SCHEMBL3026834 0.94 PDE4B (0.49) PDE4BCNR2EGLN1PDE4APDE4C
Hydrochloric Acid SCHEMBL3026833 0.94 PDE4B (0.49) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL870121 0.94 PDE4B (0.47) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL3018298 0.94 PDE4B (0.47) PDE4BCNR2EGLN1PDE4APDE4C
SCHEMBL870787 0.93 PDE4B (0.46) PDE4BEGLN1PDE4APDE4CPDE4D

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 2/4885CNR2 2229/4885EGLN1 1901/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CNR2 3682/4885EGLN1 1768/4885

“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.