SCHEMBL1370043

SCHEMBL1370043

CC(C)(C)OC(=O)NCCCC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.49
▸ CA2 P00918 6/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ XDH P47989 1/20 0.39

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
SCHEMBL1369226 0.93 CA1 (0.41) CA1CA2L3MBTL1NPSR1TDP1
SCHEMBL1370124 0.83 XDH (0.35) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL18176950 0.83 BCHE (0.44) CA1CA2L3MBTL1NPSR1TDP1
SCHEMBL24653331 0.82 AURKA (0.40) CA1CA2L3MBTL1NPSR1
SCHEMBL1371117 0.81 XDH (0.35) L3MBTL1TDP1MAPTKDM4EXDH
SCHEMBL13538979 0.81 XDH (0.45) XDH
SCHEMBL1370007 0.80 L3MBTL1 (0.38) L3MBTL1TDP1MAPTKDM4EGAA
SCHEMBL1370481 0.79 HDAC8 (0.38) L3MBTL1NPSR1TDP1MEN1KMT2A
SCHEMBL12145168 0.78 BUB1 (0.36) L3MBTL1XDH
SCHEMBL2623138 0.78 XDH (0.62) CA1CA2L3MBTL1POLBXDH

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 11 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 claimed
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 — — EP claimed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 — — WO claimed
EP-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 — — EP claimed
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
EP-2303884-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2011-04-06 — — EP disclosed
WO-2010000429-A1 ADENINE RECEPTOR LIGANDS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-07 — — WO 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
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 CA1 3837/4885CA2 3088/4885L3MBTL1 2483/4885

“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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