SCHEMBL2270904

SCHEMBL2270904

Cn1cc(-n2ccc(=O)c(C(=O)c3cccc(B4OC(C)(C)C(C)(C)O4)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KLKB1 P03952 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RIPK2 O43353 1/20 0.31
P4HB P07237 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL13449434 0.94 POLB (0.41) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL13449428 0.87 POLB (0.40) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2364503 0.82 POLB (0.31) POLB
SCHEMBL2264322 0.80 POLB (0.64) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2221483 0.80 POLB (0.49) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2266453 0.79 LIPG (0.39) IRAK4
SCHEMBL12516447 0.79 IRAK4 (0.32) IRAK4
SCHEMBL13506756 0.77 POLB (0.48) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2266728 0.74 POLB (0.45) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL13449433 0.73 POLB (0.60) POLBKMT2AMEN1CYP2C9GAA

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 POLB 1954/4885KMT2A 720/4885MEN1 1349/4885

“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.