SCHEMBL4869652

SCHEMBL4869652

CCOC(=O)c1cccc2nc(N3CCC(n4c(=O)[nH]c5c(C#N)c(C)[nH]c5c4=O)CC3)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
OGFRL1 Q5TC84 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
OPRD1 P41143 2/20 0.38
MAPK1 P28482 1/20 0.38
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
P2RY12 Q9H244 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL4833628 0.90 ITGAL (0.39) KDM4EALDH1A1NPSR1GAAHPGD
SCHEMBL4878363 0.77 MAPT (0.37) KDM4EALDH1A1OPRM1OPRK1OGFRL1
SCHEMBL15121958 0.72
SCHEMBL13248279 0.70 ABCC2 (0.49)
SCHEMBL2824199 0.69 PRKD3 (0.45) KDM4EALDH1A1L3MBTL1NPSR1GAA
SCHEMBL4878338 0.69 SMN1; SMN2 (0.47) KDM4EALDH1A1OPRM1OPRK1L3MBTL1
SCHEMBL4880761 0.67 HSD11B1 (0.34) KDM4EALDH1A1NPSR1MEN1LMNA
SCHEMBL4874945 0.66 ITGAL (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL2848626 0.65 ABCC2 (0.46)
SCHEMBL2848625 0.65 ABCC2 (0.46)

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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 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 (1 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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP KDM4E 1269/4885ALDH1A1 937/4885OPRM1 1861/4885

“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.