SCHEMBL871812

SCHEMBL871812

Cc1cnc(C(=O)NC2CCC(n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(CN6C[C@@H](C)N[C@@H](C)C6)cc5)c4)c3=O)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.53
CYP3A4 P08684 1/20 0.49
PDE4D Q08499 2/20 0.40
KCNH2 Q12809 2/20 0.40
CNR2 P34972 2/20 0.38

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
SCHEMBL871811 1.00 PDE4B (0.53) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3026848 0.93 PDE4B (0.52) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL8178278 0.93 PDE4B (0.52) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3026845 0.93 PDE4B (0.52) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3032974 0.92 PDE4B (0.51) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3032976 0.92 PDE4B (0.51) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3029647 0.91 PDE4B (0.52) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3029651 0.91 PDE4B (0.52) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL3023352 0.91 PDE4B (0.50) PDE4BCYP3A4PDE4DKCNH2CNR2
SCHEMBL872008 0.91 PDE4B (0.50) PDE4BCYP3A4PDE4DKCNH2CNR2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 116/4885PDE4D 11/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885PDE4D 10/4885

“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.