SCHEMBL4155263

SCHEMBL4155263

CN(CC(=O)O)Cc1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.43
CD274 Q9NZQ7 2/20 0.43
ABHD6 Q9BV23 1/20 0.40
PTGES O14684 1/20 0.39
MGLL Q99685 1/20 0.39
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4173616 0.88 PRMT6 (0.42) AOC3ABHD6PTGES
SCHEMBL3724516 0.87 AOC3 (0.41) AOC3ABHD6PTGESMGLLMEN1
SCHEMBL4150523 0.85 LTA4H (0.38) AOC3CD274NR4A2MEN1KMT2A
SCHEMBL3667316 0.83 PDCD1 (0.39) AOC3CD274
SCHEMBL3667382 0.82 HTR7 (0.43) AOC3ABHD6
SCHEMBL4151005 0.81 PRMT6 (0.37) AOC3CD274
SCHEMBL3730365 0.81 GRIN2D (0.47)
SCHEMBL13778430 0.81 CD274 (0.50) AOC3CD274ABHD6MGLLNR4A2
SCHEMBL3724410 0.79 FFAR1 (0.48)
SCHEMBL3666969 0.76 VSIR (0.43) AOC3CD274NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 AOC3 3251/4885CD274 558/4885ABHD6 2963/4885

“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.