SCHEMBL413951

SCHEMBL413951

CCOC(=O)N1Cc2nc(-c3ccc(NC(=O)Nc4cccnc4)cc3)nc(N3CCOC[C@@H]3C)c2C1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.66
MTOR P42345 17/20 0.61
RPTOR Q8N122 3/20 0.59
MLST8 Q9BVC4 3/20 0.59
CYP3A4 P08684 3/20 0.58
KCNH2 Q12809 1/20 0.56

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
SCHEMBL412635 0.92 MTOR (0.68) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL442108 0.91 PIK3CA (0.72) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL413001 0.88 MTOR (0.61) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL413956 0.88 MTOR (0.64) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL414039 0.88 MTOR (0.78) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL412093 0.87 MTOR (0.64) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL414077 0.86 MTOR (0.68) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL442993 0.86 MTOR (0.68) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL411982 0.85 MTOR (0.67) PIK3CAMTORRPTORMLST8CYP3A4
SCHEMBL414081 0.85 MTOR (0.69) PIK3CAMTORRPTORMLST8CYP3A4

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 9 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
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-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-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
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US 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 1/4885RPTOR 3/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 29/4885MTOR 1/4885RPTOR 3/4885

“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.