Sugi Predict

Sugi Predict / Compounds / SCHEMBL584192

SCHEMBL584192

SCHEMBL584192

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(CN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.38
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ PDE10A Q9Y233 3/20 0.34
▸ AVPR1B P47901 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ FLT1 P17948 1/20 0.33

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
SCHEMBL584040 0.87 ATR (0.41) NPC1RAB9AKDM4ESMN1; SMN2PIK3CA
SCHEMBL10277162 0.86 HSP90AA1 (0.39) HSP90AA1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6890894 0.85 JAK1 (0.36) HSP90AA1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7879162 0.83 RAB9A (0.39) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL31339 0.83 KDM4E (0.33) NPC1RAB9AKDM4ESMN1; SMN2PIK3CA
SCHEMBL1023161 0.82 HSP90AA1 (0.34) HSP90AA1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL583888 0.80 RAB9A (0.32) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1083466 0.80 AKR1C3 (0.32) PIK3CA
SCHEMBL10238601 0.80 PDE10A (0.33) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL583583 0.80 HDAC1 (0.39) NPC1RAB9AKDM4ESMN1; SMN2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
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 HSP90AA1 617/4885NPC1 348/4885RAB9A 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.