SCHEMBL10225136

SCHEMBL10225136

COc1ccc(-c2ccc3c(N4CCOCC4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
FECH P22830 1/20 0.74
PIK3R1 P27986 1/20 0.74
PIK3CA P42336 1/20 0.74
KCNH2 Q12809 1/20 0.74
RICTOR Q6R327 1/20 0.74
RPTOR Q8N122 1/20 0.74
MAPKAP1 Q9BPZ7 1/20 0.74
MLST8 Q9BVC4 1/20 0.74

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
SCHEMBL2909921 1.00 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL10225106 1.00 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL4171571 1.00 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2900521 0.99 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2906042 0.96 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL10225102 0.96 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL14089212 0.95 MTOR (0.90) MTOR
SCHEMBL2906090 0.95 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL10225112 0.95 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL10225127 0.94 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2

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
US-8101602-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors Kudos Pharmaceuticals, Ltd. (GB) 2012-01-24 US disclosed
US-8101602-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors Kudos Pharmaceuticals, Ltd. (GB) 2012-01-24 US disclosed
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2011-05-26 US disclosed
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2011-05-26 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

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-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885FECH 921/4885PIK3R1 135/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885FECH 4101/4885PIK3R1 276/4885

“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.