SCHEMBL441654

SCHEMBL441654

CC1COCCN1c1nc(Cl)nc2c1CN(C(=O)O)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.47
ATR Q13535 6/20 0.46
PIK3CA P42336 3/20 0.44
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3C2A O00443 1/20 0.41
BRAF P15056 1/20 0.41
PIK3R1 P27986 1/20 0.41
FKBP1A P62942 1/20 0.41
RPTOR Q8N122 1/20 0.41
MLST8 Q9BVC4 1/20 0.41

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
SCHEMBL3672959 0.91 ATR (0.53) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL443375 0.91 MTOR (0.51) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL414101 0.91 MTOR (0.51) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL412651 0.88 MTOR (0.45) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL446753 0.88 MTOR (0.45) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL413949 0.86 MTOR (0.46) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL1831760 0.85 ATR (0.47) MTORATRPIK3CACYP3A4KCNH2
SCHEMBL444134 0.85 MTOR (0.55) MTORATRPIK3CAPIK3R1
SCHEMBL412835 0.85 MTOR (0.55) MTORATRPIK3CAPIK3R1
SCHEMBL444716 0.85 MTOR (0.55) MTORATRPIK3CAPIK3R1

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 MTOR 1/4885ATR 672/4885PIK3CA 29/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885ATR 672/4885PIK3CA 29/4885

“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.