SCHEMBL3029314

SCHEMBL3029314

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.46
CYP3A4 P08684 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
CNR2 P34972 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
SCHEMBL3029317 1.00 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL870477 0.91 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL3016746 0.91 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL870971 0.90 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL3023129 0.90 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL870745 0.89 PDE4B (0.46) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL870628 0.87 PDE4B (0.52) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL3027588 0.87 PDE4B (0.52) PDE4BCYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL871840 0.87 PDE4B (0.47) PDE4BKCNH2PDE4APDE4CPDE4D
SCHEMBL871841 0.87 PDE4B (0.47) PDE4BKCNH2PDE4APDE4CPDE4D

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 8 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-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 2/4885CYP3A4 116/4885KCNH2 3141/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP3A4 116/4885KCNH2 3141/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885KCNH2 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.