SCHEMBL870434

SCHEMBL870434

O=Cc1cc(O)ccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.49
HPGDS O60760 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL870433 1.00 PDE4B (0.49) PDE4BHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL871848 0.93 PDE4B (0.45) PDE4BHPGDSKCNH2PDE4DPDE4A
SCHEMBL871849 0.93 PDE4B (0.45) PDE4BHPGDSKCNH2PDE4DPDE4A
SCHEMBL3023234 0.91 PDE4B (0.52) PDE4BHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL871668 0.91 PDE4B (0.52) PDE4BHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL870702 0.91 PDE4B (0.45) PDE4BHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL870703 0.91 PDE4B (0.45) PDE4BHPGDSKCNH2CYP3A4CYP2C9
SCHEMBL871877 0.90 PDE4B (0.48) PDE4BHPGDSKCNH2PDE4DPDE4A
SCHEMBL871876 0.90 PDE4B (0.48) PDE4BHPGDSKCNH2PDE4DPDE4A
SCHEMBL871984 0.90 PDE4B (0.47) PDE4BHPGDSKCNH2PDE4DPDE4A

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 351/4885KCNH2 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.