Sugi Predict

Sugi Predict / Compounds / SCHEMBL584907

SCHEMBL584907

SCHEMBL584907

COC(=O)Cc1ccc(Cc2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 8/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ CYP26A1 O43174 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NPC1 O15118 2/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL590214 0.85 CRHR1 (0.34) CRHR1ALDH1A1KDM4ECYP4F2CYP4A11
SCHEMBL7886252 0.85 CRHR1 (0.33) CRHR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL583530 0.84 NPC1 (0.31) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL597165 0.83 CRHR1 (0.31) CRHR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL584441 0.83 CRHR1 (0.32) CRHR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL600785 0.77 CRHR1 (0.32) CRHR1
SCHEMBL589059 0.77 HCAR2 (0.33) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL30183 0.76 CRHR1 (0.33) CRHR1PRKAA1
SCHEMBL30278 0.75 PDE10A (0.46) CRHR1
SCHEMBL2679432 0.74 CCNE1 (0.40) ALDH1A1KDM4ENPC1RAB9A

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 CRHR1 2689/4885PRKAB2 201/4885PRKAG1 36/4885

“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.