SCHEMBL10272828

SCHEMBL10272828

C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccoc4)nc3n2)CCO1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.84
KCNH2 Q12809 1/20 0.65
AKT1 P31749 1/20 0.59

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
SCHEMBL4179384 0.91 MTOR (1.00) MTORKCNH2
SCHEMBL2903143 0.89 MTOR (1.00) MTOR
SCHEMBL10273302 0.88 MTOR (0.83) MTORKCNH2
SCHEMBL10273056 0.88 MTOR (0.83) MTORKCNH2
SCHEMBL10286962 0.87 MTOR (0.83) MTORKCNH2
SCHEMBL10273301 0.85 MTOR (0.84) MTORKCNH2AKT1
SCHEMBL10286661 0.85 MTOR (0.84) MTORKCNH2
SCHEMBL10272645 0.84 MTOR (0.84) MTORKCNH2
SCHEMBL10273134 0.84 MTOR (0.84) MTORKCNH2AKT1
SCHEMBL10272644 0.84 MTOR (0.84) MTORKCNH2AKT1

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-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2012-06-07 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-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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 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 (4 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-20120142673-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885KCNH2 4394/4885AKT1 213/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885KCNH2 4376/4885AKT1 221/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 MTOR 203/4885KCNH2 3954/4885AKT1 1066/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885KCNH2 4538/4885AKT1 782/4885

“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.