SCHEMBL3023255

SCHEMBL3023255

C[C@@H]1CN(Cc2ccc(-c3cccc(-n4c(=O)n(C5CCC(NC(=O)c6nc7ccccc7[nH]6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)C[C@H](C)N1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.46
CYP3A4 P08684 2/20 0.46
CNR2 P34972 2/20 0.38
PDE4D Q08499 2/20 0.37
KCNH2 Q12809 2/20 0.37
TNKS O95271 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
CNR1 P21554 1/20 0.35
MLNR O43193 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GHSR Q92847 1/20 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
SCHEMBL3023251 1.00 PDE4B (0.46) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL3023352 0.91 PDE4B (0.50) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL872008 0.91 PDE4B (0.50) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL872273 0.89 PDE4B (0.49) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL3016550 0.89 PDE4B (0.49) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL870373 0.88 PDE4B (0.44) PDE4BTNKSSMYD3
SCHEMBL871791 0.88 SIRT1 (0.38) PDE4BCYP3A4CNR2TNKSSMYD3
SCHEMBL871792 0.88 SIRT1 (0.38) PDE4BCYP3A4CNR2TNKSSMYD3
SCHEMBL3032974 0.88 PDE4B (0.51) PDE4BCYP3A4CNR2PDE4DKCNH2
SCHEMBL3032976 0.88 PDE4B (0.51) PDE4BCYP3A4CNR2PDE4DKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP3A4 116/4885CNR2 2229/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP3A4 73/4885CNR2 3682/4885

“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.