Sugi Predict

Sugi Predict / Compounds / SCHEMBL588542

SCHEMBL588542

SCHEMBL588542

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.39
▸ MAPT P10636 8/20 0.37
▸ RAB9A P51151 7/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ RET P07949 1/20 0.35
▸ KIF5B P33176 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ETV6 P41212 1/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GFER P55789 1/20 0.35

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
SCHEMBL10328346 0.89 DGAT1 (0.39) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL2680129 0.85 MAPT (0.36) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL10238854 0.85 NPC1 (0.40) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL15026290 0.85 CHEK1 (0.40) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL31339 0.85 KDM4E (0.33) MAPTRAB9AKDM4EALDH1A1RET
SCHEMBL14298310 0.84 DGAT1 (0.40) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL14298078 0.84 DGAT1 (0.40) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL10327979 0.84 DGAT1 (0.40) DGAT1MAPTRAB9ARETKIF5B
SCHEMBL7883028 0.83 DGAT1 (0.41) DGAT1MAPTRAB9AKDM4EALDH1A1
SCHEMBL2680276 0.83 CHEK1 (0.41) DGAT1RETKIF5BKDRETV6

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 28 patents — showing the first 20. 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-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US 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-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
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
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 — — EP disclosed
WO-2012027240-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 — — WO disclosed
WO-2012027240-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-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 — — WO disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 — — 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 DGAT1 1477/4885MAPT 1191/4885RAB9A 523/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR DGAT1 3031/4885MAPT 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.