SCHEMBL1439441

SCHEMBL1439441

CC(C)(C)[S@+]([O-])N[C@H](CO[Si](C)(C)C(C)(C)C)c1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2C19 P33261 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
CASR P41180 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
SCHEMBL10276865 1.00 TSHR (0.32) TSHRMEN1GAAKMT2ASMN1; SMN2
SCHEMBL28594844 0.85 CASR (0.31) TSHRCASR
SCHEMBL28594847 0.85 CASR (0.31) TSHRCASR
SCHEMBL28594841 0.85 CASR (0.31) TSHRCASR
SCHEMBL10276744 0.83
SCHEMBL1439430 0.83
SCHEMBL20284950 0.83 KCNA5 (0.30) KCNA5KCNH2
SCHEMBL28583876 0.83 KCNA5 (0.30) KCNA5KCNH2
SCHEMBL28583875 0.83 KCNA5 (0.30) KCNA5KCNH2
SCHEMBL1438938 0.82

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-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 TSHR 2759/4885MEN1 845/4885GAA 3810/4885

“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.