SCHEMBL3026679

SCHEMBL3026679

CN(C)C1(C(=O)NC2CCC(n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(CN6CCN(CCO)CC6)cc5)c4)c3=O)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.37
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
CNR2 P34972 3/20 0.35
TYRO3 Q06418 2/20 0.34
TNIK Q9UKE5 1/20 0.34
CYP3A4 P08684 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
CNR1 P21554 1/20 0.33
AVPR1B P47901 1/20 0.33
ACKR3 P25106 1/20 0.33

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
SCHEMBL871091 1.00 PDE4B (0.37) PDE4BMAP3K9MAP3K11CNR2TYRO3
SCHEMBL871970 0.95 PDE4B (0.37) PDE4BCNR2TNIKCYP3A4CNR1
SCHEMBL4235029 0.95 PDE4B (0.37) PDE4BCNR2TNIKCYP3A4CNR1
SCHEMBL870468 0.94 PDE4B (0.37) PDE4BCNR2TNIKCYP3A4AVPR1B
SCHEMBL3023064 0.94 PDE4B (0.37) PDE4BCNR2TNIKCYP3A4AVPR1B
SCHEMBL3029859 0.93 PDE4B (0.39) PDE4BCNR2CYP3A4AVPR1BACKR3
SCHEMBL871058 0.93 PDE4B (0.39) PDE4BCNR2CYP3A4AVPR1BACKR3
SCHEMBL870855 0.92 PDE4B (0.40) PDE4BCNR2CYP3A4AVPR1BACKR3
SCHEMBL3030799 0.92 PDE4B (0.40) PDE4BCNR2CYP3A4AVPR1BACKR3
SCHEMBL10271613 0.92 PDE4B (0.36) PDE4BCNR2CYP3A4ACKR3

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 2/4885MAP3K9 518/4885MAP3K11 349/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885MAP3K9 271/4885MAP3K11 235/4885

“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.