SCHEMBL441226

SCHEMBL441226

CC(C)NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.51
CA2 P00918 10/20 0.51
CA9 Q16790 10/20 0.51
CA12 O43570 2/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
PDGFRB P09619 2/20 0.45
KDR P35968 2/20 0.45
EPHX2 P34913 1/20 0.43
CXCR2 P25025 1/20 0.43
LPL P06858 4/20 0.41
LIPG Q9Y5X9 4/20 0.41
P4HB P07237 1/20 0.40
F2 P00734 1/20 0.39
F11 P03951 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
SCHEMBL1724519 0.86 CA1 (0.50) CA1CA2CA9CA12CA3
SCHEMBL441861 0.83 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL2730940 0.82 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL423204 0.82 PDGFRB (0.61) CA1CA2CA9CA12CA3
SCHEMBL2698635 0.82 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL422455 0.81 LPL (0.61) CA1CA2CA9CA12CA3
SCHEMBL21197913 0.80 CA1 (0.55) CA1CA2CA9LPLLIPG
SCHEMBL706622 0.80 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL1284377 0.80 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL14942938 0.79 CA1 (0.57) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
US-8822503-B2 2-pyridone compounds TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 US disclosed
WO-2011068211-A1 2-PYRIDONE COMPOUNDS 大正製薬株式会社 (JP) 2011-06-09 WO disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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 (3 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CA1 4867/4885CA2 4488/4885CA9 4749/4885
US-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 CA1 4800/4885CA2 2955/4885CA9 4786/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR CA1 4867/4885CA2 4488/4885CA9 4749/4885

“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.