SCHEMBL872550

SCHEMBL872550

CC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4)c3)c2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
PDE4B Q07343 7/20 0.36
PDE4D Q08499 7/20 0.36
EGLN1 Q9GZT9 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PDE4A P27815 5/20 0.36
PDE4C Q08493 5/20 0.36
TNF P01375 3/20 0.36
LITAF Q99732 3/20 0.36
DCK P27707 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAP4K4 O95819 1/20 0.35
HTR3A P46098 2/20 0.35

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
SCHEMBL872551 1.00 KCNH2 (0.37) KCNH2CKS1BSKP1SKP2PDE4B
SCHEMBL4233037 0.90 PDE4B (0.36) KCNH2PDE4BPDE4DPDE4APDE4C
SCHEMBL4233040 0.90 PDE4B (0.36) KCNH2PDE4BPDE4DPDE4APDE4C
SCHEMBL871215 0.90 PDE4B (0.43) KCNH2PDE4BPDE4DPDE4APDE4C
SCHEMBL871214 0.90 PDE4B (0.43) KCNH2PDE4BPDE4DPDE4APDE4C
SCHEMBL10221633 0.89 CKS1B (0.42) KCNH2CKS1BSKP1SKP2PDE4B
SCHEMBL870811 0.89 CKS1B (0.42) KCNH2CKS1BSKP1SKP2PDE4B
SCHEMBL8168457 0.89 CKS1B (0.42) KCNH2CKS1BSKP1SKP2PDE4B
SCHEMBL870927 0.88 PDE4B (0.34) KCNH2PDE4BPDE4DPDE4APDE4C
SCHEMBL870928 0.88 PDE4B (0.34) KCNH2PDE4BPDE4DPDE4APDE4C

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 KCNH2 3141/4885CKS1B 2202/4885SKP1 4026/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B KCNH2 3141/4885CKS1B 2202/4885SKP1 4026/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A KCNH2 3031/4885CKS1B 1116/4885SKP1 1855/4885

“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.