SCHEMBL441850

SCHEMBL441850

O=C(Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(C(=O)O)C3)c(F)c1)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.49
EPHX2 P34913 4/20 0.45
GAA P10253 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
ATR Q13535 1/20 0.43

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
SCHEMBL414133 0.93 MTOR (0.49) MTOREPHX2PIK3CAPIK3CGATR
SCHEMBL412038 0.92 MTOR (0.51) MTOREPHX2PIK3CAPIK3CGATR
SCHEMBL414089 0.92 MTOR (0.49) MTOREPHX2GAAPIK3CAPIK3CG
SCHEMBL412688 0.90 MTOR (0.52) MTOREPHX2PIK3CAPIK3CGATR
SCHEMBL443247 0.89 MTOR (0.61) MTOREPHX2PIK3CAPIK3CGATR
SCHEMBL442689 0.88 MTOR (0.51) MTORPIK3CA
SCHEMBL411988 0.87 MTOR (0.48) MTOREPHX2GAAPIK3CA
SCHEMBL414116 0.86 MTOR (0.56) MTOREPHX2GAA
Hydrochloric Acid SCHEMBL444265 0.86 MTOR (0.55) MTOREPHX2GAA
SCHEMBL443643 0.82 MTOR (0.56) MTORPIK3CAATR

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 1/4885EPHX2 3852/4885GAA 1609/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885EPHX2 3852/4885GAA 1609/4885

“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.