SCHEMBL870163

SCHEMBL870163

NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(O)cc4CN4CCNC(=O)CC4)c3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL870162 1.00 PDE4B (0.36) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL16087446 0.93 PDE4B (0.36) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3022331 0.90 PDE4B (0.42) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3022338 0.90 PDE4B (0.42) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL870614 0.89 PDE4B (0.44) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL870613 0.89 PDE4B (0.44) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871335 0.88 PDE4B (0.34) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL871334 0.88 PDE4B (0.34) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL8188067 0.87 PDE4B (0.40) PDE4BCYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL870404 0.84 PDE4B (0.42) PDE4BCYP3A4CYP2C9CYP2C19KCNH2

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 2/4885CYP3A4 116/4885CYP2C9 835/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP3A4 116/4885CYP2C9 835/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885CYP2C9 688/4885

“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.