SCHEMBL441229

SCHEMBL441229

CCNC(=O)Nc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
LIPG Q9Y5X9 3/20 0.37
LPL P06858 2/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HIF1A Q16665 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
CXCR2 P25025 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL15141616 0.83 CA1 (0.47) ROCK1LIPGLPLGSK3AGSK3B
SCHEMBL29182912 0.81 ROCK1 (0.40) ROCK1LIPGLPLGSK3AGSK3B
SCHEMBL22967051 0.81 ROCK1 (0.40) ROCK1LIPGLPLGSK3AGSK3B
SCHEMBL118986 0.76 CA1 (0.51) LIPGLPLCA1CA2CA9
SCHEMBL411983 0.75 KMT2A (0.42) PDGFRBKDRCXCR2MAPK1
SCHEMBL3322268 0.75 LPL (0.45) LIPGLPLCA1CA2CA9
SCHEMBL3711933 0.75 ROCK1 (0.46) ROCK1LIPGLPLHIF1ACA1
SCHEMBL11423631 0.75 MEN1 (0.39)
SCHEMBL24269985 0.74 LIPG (0.38) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL1553789 0.74 GSK3A (0.44) LIPGLPLGSK3AGSK3BHIF1A

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 6 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-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US 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
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 (2 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 ROCK1 2340/4885LIPG 4309/4885LPL 4498/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR ROCK1 2340/4885LIPG 4309/4885LPL 4498/4885

“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.