SCHEMBL16140262

SCHEMBL16140262

C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)c(F)c2)nc2c1CN(C(=O)CCC(N)=O)C2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.51
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 3/20 0.47
CYP3A4 P08684 4/20 0.46
KCNH2 Q12809 2/20 0.45
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
RICTOR Q6R327 1/20 0.43
MAPKAP1 Q9BPZ7 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
SCHEMBL441912 0.90 MTOR (0.54) MTORPIK3R1PIK3CACYP3A4KCNH2
SCHEMBL441730 0.90 MTOR (0.60) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL413022 0.90 MTOR (0.60) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL412634 0.88 MTOR (0.53) MTORPIK3R1PIK3CACYP3A4KCNH2
SCHEMBL443859 0.82 MTOR (0.60) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL443858 0.82 MTOR (0.60) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL444727 0.82 MTOR (0.68) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL443627 0.80 MTOR (0.58) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL442411 0.80 MTOR (0.71) MTORPIK3CACYP3A4KCNH2RPTOR
SCHEMBL442412 0.80 MTOR (0.71) MTORPIK3CACYP3A4KCNH2RPTOR

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-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 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-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3R1 118/4885PIK3CA 29/4885

“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.