Sugi Predict

Sugi Predict / Compounds / SCHEMBL587734

SCHEMBL587734

SCHEMBL587734

COC(=O)Cc1ccc(Oc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ TTK P33981 2/20 0.32
▸ PPARG P37231 3/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ RPS6KB2 Q9UBS0 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ESR1 P03372 2/20 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
SCHEMBL589059 0.89 HCAR2 (0.33) HCAR2FAAHPPARGKDM4EMAPT
SCHEMBL2680440 0.86 LMNA (0.33) HCAR2FAAHPPARGKDM4EMAPT
SCHEMBL589363 0.85 PTGS2 (0.36) —
SCHEMBL7886861 0.85 LMNA (0.33) HCAR2FAAHPPARGKDM4EMAPT
SCHEMBL617633 0.85 — —
SCHEMBL583964 0.83 LMNA (0.33) CYP11B1CYP11B2LMNANPC1ALDH1A1
SCHEMBL588534 0.81 HPGD (0.31) KDM4ENPC1ALDH1A1MAPK1
SCHEMBL7874886 0.80 LTB4R (0.34) FAAHPPARGDGAT1MAPTMTOR
SCHEMBL7879162 0.79 RAB9A (0.39) KDM4EMAPTLMNANPC1ALDH1A1
SCHEMBL583745 0.79 DGAT1 (0.40) TTKDGAT1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR HCAR2 2821/4885FAAH 4486/4885TTK 673/4885

“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.