SCHEMBL1543655

SCHEMBL1543655

CN(C)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
LPL P06858 9/20 0.33
LIPG Q9Y5X9 9/20 0.33
FFAR1 O14842 1/20 0.33
EGFR P00533 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALPL P05186 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
SCHEMBL24576821 0.84 LPL (0.33) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL3515805 0.83 GSK3A (0.35) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL29775117 0.81 ALPL (0.35) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL12442998 0.81 ALPL (0.35) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL2067723 0.81 LPL (0.39) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL12724559 0.80
SCHEMBL15555994 0.80 DGAT1 (0.37) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL12443035 0.79 GSK3A (0.39) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL11910717 0.79 DGAT1 (0.36) DGAT1GSK3AGSK3BPDGFRBKDR
SCHEMBL1545017 0.78 PDGFRB (0.40) DGAT1GSK3AGSK3BPDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
EP-2307400-B1 INHIBITORS OF PI3 KINASE AMGEN INC (US) 2014-04-23 EP disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-8415376-B2 Inhibitors of PI3 kinase AMGEN INC. (US) 2013-04-09 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
US-20110092504-A1 INHIBITORS OF PI3 KINASE AMGEN INC. 2011-04-21 US disclosed
EP-2307400-A2 INHIBITORS OF PI3 KINASE Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 WO disclosed
WO-2009155121-A2 INHIBITORS OF PI3 KINASE AMGEN INC. (US) 2009-12-23 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-20110092504-A1 INHIBITORS OF PI3 KINASE PIK3CA, PIK3R1, PIK3R5 DGAT1 3878/4885GSK3A 57/4885GSK3B 56/4885

“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.