Sugi Predict

Sugi Predict / Compounds / SCHEMBL584589

SCHEMBL584589

SCHEMBL584589

CCOC(=O)CC1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.38
▸ PIK3CA P42336 5/20 0.35
▸ MTOR P42345 3/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ AVPR1B P47901 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ STAT1 P42224 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
SCHEMBL7881024 0.92 PIK3CA (0.33) DGAT1PIK3CAMTORAKT1L3MBTL1
SCHEMBL7874734 0.92 DGAT1 (0.38) DGAT1PIK3CAMTORAKT1L3MBTL1
SCHEMBL2680181 0.92 DGAT1 (0.36) DGAT1PIK3CAMTORAKT1AVPR1B
SCHEMBL10239396 0.91 PIK3CA (0.34) DGAT1PIK3CAMTORAKT1L3MBTL1
SCHEMBL584172 0.89 DGAT1 (0.51) DGAT1MTORL3MBTL1ALDH1A1HPGD
SCHEMBL7874285 0.88 CHEK1 (0.34) PIK3CAMTORAKT1CHEK1
SCHEMBL594420 0.87 PIK3CA (0.33) DGAT1PIK3CAMTORAKT1CHEK1
SCHEMBL7886269 0.87 PIK3CA (0.33) DGAT1PIK3CAMTORAKT1CHEK1
SCHEMBL595034 0.86 DGAT1 (0.41) DGAT1PIK3CAMTORAKT1L3MBTL1
SCHEMBL2680019 0.86 CHEK1 (0.31) MTORJAK2JAK1JAK3CHEK1

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 DGAT1 3031/4885PIK3CA 34/4885MTOR 1/4885

“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.