SCHEMBL4748699

SCHEMBL4748699

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@@H](C)O[C@@H](C)C4)nc3n2)cc1CCl

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.85
KCNH2 Q12809 4/20 0.85
PIK3CA P42336 2/20 0.85
PIK3CD O00329 1/20 0.85
RICTOR Q6R327 1/20 0.85
RPTOR Q8N122 1/20 0.85
MAPKAP1 Q9BPZ7 1/20 0.85
MLST8 Q9BVC4 1/20 0.85

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
SCHEMBL10092312 0.92 MTOR (0.86) MTORKCNH2PIK3CAPIK3CDRICTOR
Ku-0063794 SCHEMBL290208 0.92 MTOR (1.00) MTORKCNH2PIK3CAPIK3CDRICTOR
Ku-0063794 SCHEMBL29454796 0.92 MTOR (1.00) MTORKCNH2PIK3CAPIK3CDRICTOR
Ku-0063794 SCHEMBL29350060 0.92 MTOR (1.00) MTORKCNH2PIK3CAPIK3CDRICTOR
Ku-0063794 SCHEMBL290211 0.92 MTOR (1.00) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL14089019 0.91 MTOR (0.83) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2900826 0.91 MTOR (0.83) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL7861003 0.90 MTOR (0.86) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2907719 0.90 MTOR (0.81) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2926233 0.88 MTOR (0.94) MTORKCNH2PIK3CAPIK3CDRICTOR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954699-B1 PYRIDO-, PYRAZO- AND PYRIMIDOPYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARM LTD (GB) 2012-09-19 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
EP-1954699-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2008-08-13 EP disclosed
WO-2007060404-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-31 WO disclosed
WO-2007060404-A1 PYRIDO-,PYRAZO- AND PYRIMIDO-PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2007-05-31 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 (1 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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885KCNH2 4538/4885PIK3CA 729/4885

“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.