SCHEMBL2147553

SCHEMBL2147553

CC(C)(C)OC(=O)N1C2CCC1CC(c1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(I)nc4)c3n1)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.33
MTOR P42345 3/20 0.32
RPTOR Q8N122 3/20 0.32
MLST8 Q9BVC4 3/20 0.32
GPR119 Q8TDV5 2/20 0.32
RET P07949 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
BRAF P15056 1/20 0.30
DGAT1 O75907 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL2147546 1.00 EIF2AK4 (0.33) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL2147933 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL30766 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL14298329 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL17399229 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL28913 0.92 EIF2AK4 (0.33) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL2147571 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL12461414 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL14316244 0.92 RET (0.34) EIF2AK4MTORRPTORMLST8GPR119
SCHEMBL12460870 0.91 EIF2AK4 (0.32) EIF2AK4MTORRPTORMLST8GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 EIF2AK4 100/4885MTOR 1/4885RPTOR 4/4885

“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.