SCHEMBL12145166

SCHEMBL12145166

CCCCCCN(CCC(=O)Nc1ncnc2[nH]cnc12)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 4/20 0.41
▸ CA14 Q9ULX7 1/20 0.34
▸ ICMT O60725 2/20 0.34
▸ ALB P02768 2/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ SELP P16109 1/20 0.30

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
SCHEMBL12145169 0.92 XDH (0.37) XDHCA14BRD4L3MBTL1
SCHEMBL12145167 0.89 L3MBTL1 (0.39) XDHL3MBTL1
SCHEMBL1371375 0.83 TSHR (0.35) —
SCHEMBL12145168 0.83 BUB1 (0.36) XDHL3MBTL1AURKA
SCHEMBL1370716 0.82 HDAC3 (0.40) —
SCHEMBL7052321 0.80 XDH (0.61) XDHBRD4GSK3BL3MBTL1AURKA
SCHEMBL5193809 0.80 XDH (0.61) XDHBRD4GSK3BL3MBTL1AURKA
SCHEMBL2623138 0.79 XDH (0.62) XDHBRD4GSK3BL3MBTL1AURKA
SCHEMBL1370043 0.75 CA1 (0.49) XDHL3MBTL1
SCHEMBL1369226 0.74 CA1 (0.41) L3MBTL1

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
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 — — US disclosed
US-20110288106-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universitaet Bonn Regina-Pacis-Weg 3 (DE) 2011-11-24 — — US disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 — — 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 (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-20110288106-A1 ADENINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 XDH 408/4885CA14 4876/4885ICMT 3304/4885

“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.

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