SCHEMBL442107

SCHEMBL442107

CC1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc2c1CN(C(=O)O)C2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.69
MTOR P42345 19/20 0.66
CYP3A4 P08684 3/20 0.61
RPTOR Q8N122 3/20 0.61
MLST8 Q9BVC4 3/20 0.61
KCNH2 Q12809 1/20 0.60

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
SCHEMBL442108 0.91 PIK3CA (0.72) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL412635 0.90 MTOR (0.68) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL444160 0.90 MTOR (0.66) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL443545 0.89 MTOR (0.82) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL443945 0.89 MTOR (0.65) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL440766 0.88 MTOR (0.61) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL441866 0.87 MTOR (0.69) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL441756 0.87 MTOR (0.69) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL444019 0.87 MTOR (0.69) PIK3CAMTORCYP3A4RPTORMLST8
SCHEMBL445564 0.87 MTOR (0.71) PIK3CAMTORCYP3A4RPTORMLST8

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
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP claimed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US claimed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US claimed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP claimed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 WO claimed
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 PIK3CA 29/4885MTOR 1/4885CYP3A4 2179/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 29/4885MTOR 1/4885CYP3A4 2179/4885

“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.