SCHEMBL12145167

SCHEMBL12145167

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ XDH P47989 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK3 P52333 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SSTR4 P31391 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 0.93 XDH (0.37) L3MBTL1XDHMEN1KMT2A
SCHEMBL12145166 0.89 XDH (0.41) L3MBTL1XDH
SCHEMBL12145168 0.87 BUB1 (0.36) L3MBTL1XDHJAK3
SCHEMBL1370716 0.86 HDAC3 (0.40) NAMPT
SCHEMBL1371375 0.86 TSHR (0.35) NAMPTTSHRHSD17B10
SCHEMBL1369226 0.78 CA1 (0.41) L3MBTL1MEN1KMT2A
SCHEMBL1371117 0.78 XDH (0.35) L3MBTL1XDHTP53TSHRHSD17B10
SCHEMBL1370043 0.77 CA1 (0.49) L3MBTL1XDHMEN1KMT2A
SCHEMBL1370007 0.77 L3MBTL1 (0.38) L3MBTL1XDH
SCHEMBL24653331 0.76 AURKA (0.40) 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 4 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
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 — — EP 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 L3MBTL1 2483/4885XDH 408/4885MEN1 4765/4885

“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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