SCHEMBL12845840

SCHEMBL12845840

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC(C)CC(C)C

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.91
FECH P22830 1/20 0.67
PIK3R1 P27986 1/20 0.67
PIK3CA P42336 1/20 0.67
KCNH2 Q12809 1/20 0.67
RICTOR Q6R327 1/20 0.67
RPTOR Q8N122 1/20 0.67
MAPKAP1 Q9BPZ7 1/20 0.67
MLST8 Q9BVC4 1/20 0.67

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
SCHEMBL2905945 0.95 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL12846011 0.90 MTOR (0.90) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2902918 0.88 MTOR (0.75) MTORPIK3CAKCNH2RICTORRPTOR
SCHEMBL14089044 0.88 MTOR (0.75) MTORPIK3CAKCNH2RICTORRPTOR
SCHEMBL10225104 0.88 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2908008 0.88 MTOR (1.00) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL2908254 0.86 MTOR (0.89) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL22030453 0.86 MTOR (0.89) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL1217194 0.86 MTOR (0.89) MTORFECHPIK3R1PIK3CAKCNH2
SCHEMBL14207545 0.86 MTOR (0.90) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 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 (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-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 MTOR 203/4885FECH 1311/4885PIK3R1 2140/4885

“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.