Sugi Predict

Sugi Predict / Compounds / SCHEMBL31339

SCHEMBL31339

SCHEMBL31339

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ UTRN P46939 2/20 0.32
▸ PDGFRB P09619 2/20 0.31
▸ PDGFRA P16234 2/20 0.31
▸ CRHR1 P34998 1/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KIF5B P33176 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ ETV6 P41212 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TP53 P04637 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
SCHEMBL7879162 0.90 RAB9A (0.39) KDM4EMAPTRAB9AALDH1A1CRHR1
SCHEMBL30348 0.89 MEN1 (0.32) KDM4EMAPTRAB9ACRHR1NPC1
SCHEMBL1083466 0.87 AKR1C3 (0.32) UTRNPDGFRBPDGFRAPIK3CA
SCHEMBL583888 0.87 RAB9A (0.32) MAPTRAB9APDGFRBPDGFRANPC1
SCHEMBL588542 0.85 DGAT1 (0.39) KDM4EMAPTRAB9AALDH1A1RET
SCHEMBL584040 0.84 ATR (0.41) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL10238601 0.83 PDE10A (0.33) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1073652 0.83 PIK3CA (0.33) PIK3CA
SCHEMBL584192 0.83 HSP90AA1 (0.38) KDM4EMAPTRAB9AALDH1A1KDR
SCHEMBL2680295 0.82 PTGS2 (0.36) UTRN

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 — — EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 — — US disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
EP-2608668-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN Merck Sharp & Dohme Corp. (US) 2013-07-03 — — EP disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — 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-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO 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 (2 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR KDM4E 2514/4885MAPT 1191/4885RAB9A 523/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR KDM4E 1448/4885MAPT 2597/4885RAB9A 720/4885

“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.