SCHEMBL8179028

SCHEMBL8179028

C[C@@H]1CN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)OC(C)(C)C)CC5)c(=O)c5cc(F)cnc54)c3)cc2)C[C@H](C)N1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.48
CYP3A4 P08684 2/20 0.45
JAK1 P23458 1/20 0.41
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDE4D Q08499 2/20 0.37
KCNH2 Q12809 2/20 0.37
MLNR O43193 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL3032974 0.91 PDE4B (0.51) PDE4BCYP3A4PDE4DKCNH2MLNR
SCHEMBL3032976 0.91 PDE4B (0.51) PDE4BCYP3A4PDE4DKCNH2MLNR
SCHEMBL10271617 0.89 PDE4B (0.41) PDE4BJAK1PARP1PARP2PDE4D
SCHEMBL10271668 0.88 PARP1 (0.39) PDE4BJAK1PARP1PARP2PDE4D
SCHEMBL8168986 0.88 PARP1 (0.39) PDE4BJAK1PARP1PARP2PDE4D
SCHEMBL8185505 0.88 PDE4B (0.46) PDE4BJAK1PARP1PARP2PDE4D
SCHEMBL10272053 0.88 PARP1 (0.38) PDE4BJAK1PARP1PARP2
SCHEMBL8193271 0.88 PARP1 (0.38) PDE4BJAK1PARP1PARP2
SCHEMBL10271670 0.88 PDE4B (0.46) PDE4BJAK1PARP1PARP2PDE4D
SCHEMBL10221633 0.87 CKS1B (0.42) PDE4BJAK1PDE4DKCNH2

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 7 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-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
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 116/4885JAK1 1685/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP3A4 116/4885JAK1 1685/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885JAK1 1906/4885

“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.