SCHEMBL870526

SCHEMBL870526

Cc1cc(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(C=O)cc5)c4)c3=O)CC2)nn1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
KCNH2 Q12809 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
TYK2 P29597 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
MAP4K4 O95819 1/20 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
SCHEMBL870527 1.00 PDE4B (0.45) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL3023252 0.89 KCNH2 (0.35) PDE4BKCNH2CNR2MAP4K4
SCHEMBL3023254 0.89 KCNH2 (0.35) PDE4BKCNH2CNR2MAP4K4
SCHEMBL3029903 0.88 PDE4B (0.47) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL870745 0.88 PDE4B (0.46) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL871627 0.88 PDE4B (0.47) PDE4BKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL870458 0.88 PDE4B (0.49) PDE4BKCNH2CYP2C19CNR2CNR1
SCHEMBL870459 0.88 PDE4B (0.49) PDE4BKCNH2CYP2C19CNR2CNR1
SCHEMBL8183839 0.88 PDE4B (0.49) PDE4BKCNH2CYP2C19CNR2CNR1
SCHEMBL870970 0.87 PDE4B (0.47) PDE4BKCNH2CYP3A4CYP2C9CYP2C19

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 10 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-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 2/4885KCNH2 3141/4885CYP3A4 116/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885KCNH2 3141/4885CYP3A4 116/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885KCNH2 3031/4885CYP3A4 73/4885

“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.