SCHEMBL870852

SCHEMBL870852

CN(C)CCOc1ccc(-c2cccc(-n3c(=O)n(C4CCC(NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.48
HPGDS O60760 1/20 0.35
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
DCK P27707 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 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
SCHEMBL870851 1.00 PDE4B (0.48) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870520 0.93 PDE4B (0.48) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870519 0.93 PDE4B (0.48) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870349 0.93 PDE4B (0.48) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870350 0.93 PDE4B (0.48) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870615 0.93 PDE4B (0.49) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870616 0.93 PDE4B (0.49) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL871799 0.92 PDE4B (0.47) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL871798 0.92 PDE4B (0.47) PDE4BHPGDSCNR2CNR1EGLN1
SCHEMBL870505 0.92 PDE4B (0.51) PDE4BHPGDSCNR2CNR1

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 4 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-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 (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 2/4885HPGDS 351/4885CNR2 2229/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885CNR2 2229/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HPGDS 784/4885CNR2 3682/4885

“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.