SCHEMBL870026

SCHEMBL870026

O=Cc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
HPGDS O60760 2/20 0.35
KCNH2 Q12809 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CNR2 P34972 2/20 0.34
PDE4D Q08499 4/20 0.34
PDE4A P27815 3/20 0.33
PDE4C Q08493 3/20 0.33
CNR1 P21554 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 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
SCHEMBL870027 1.00 PDE4B (0.45) PDE4BHPGDSKCNH2EGLN1CNR2
SCHEMBL870787 0.93 PDE4B (0.46) PDE4BHPGDSKCNH2EGLN1PDE4D
SCHEMBL870786 0.93 PDE4B (0.46) PDE4BHPGDSKCNH2EGLN1PDE4D
SCHEMBL872121 0.93 PDE4B (0.47) PDE4BHPGDSKCNH2EGLN1PDE4D
SCHEMBL871984 0.93 PDE4B (0.47) PDE4BHPGDSKCNH2EGLN1PDE4D
SCHEMBL870702 0.92 PDE4B (0.45) PDE4BHPGDSKCNH2CNR2PDE4D
SCHEMBL870703 0.92 PDE4B (0.45) PDE4BHPGDSKCNH2CNR2PDE4D
SCHEMBL870690 0.92 PDE4B (0.43) PDE4BHPGDSCNR2CNR1
SCHEMBL8169010 0.92 PDE4B (0.43) PDE4BHPGDSCNR2CNR1
SCHEMBL870691 0.92 PDE4B (0.43) 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 11 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
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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 351/4885KCNH2 3141/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885KCNH2 3141/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HPGDS 784/4885KCNH2 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.